 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer04_STD_wB97XD_augccpVDZ.in
 Output=10_L-serine_conformer04_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-177032.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    177040.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer04_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer04_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.251931000000     -0.663665000000      0.331107000000
  C                                                 0.190209000000      0.204684000000     -0.343882000000
  C                                                -1.219712000000     -0.345036000000     -0.068508000000
  O                                                -2.135841000000      0.604858000000      0.141712000000
  O                                                 2.566231000000     -0.222950000000      0.011296000000
  N                                                 0.254758000000      1.625934000000      0.010270000000
  O                                                -1.475770000000     -1.518722000000     -0.066506000000
  H                                                 0.319391000000      0.128518000000     -1.428362000000
  H                                                 1.154507000000     -0.574017000000      1.416069000000
  H                                                 1.091659000000     -1.710334000000      0.069937000000
  H                                                -1.642859000000      1.455867000000      0.091840000000
  H                                                 0.567016000000      1.739291000000      0.969467000000
  H                                                 0.922994000000      2.115293000000     -0.569730000000
  H                                                 2.832457000000     -0.617545000000     -0.825436000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251931   -0.663665    0.331107
      2          6           0        0.190209    0.204684   -0.343882
      3          6           0       -1.219712   -0.345036   -0.068508
      4          8           0       -2.135841    0.604858    0.141712
      5          8           0        2.566231   -0.222950    0.011296
      6          7           0        0.254758    1.625934    0.010270
      7          8           0       -1.475770   -1.518722   -0.066506
      8          1           0        0.319391    0.128518   -1.428362
      9          1           0        1.154507   -0.574017    1.416069
     10          1           0        1.091659   -1.710334    0.069937
     11          1           0       -1.642859    1.455867    0.091840
     12          1           0        0.567016    1.739291    0.969467
     13          1           0        0.922994    2.115293   -0.569730
     14          1           0        2.832457   -0.617545   -0.825436
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528690   0.000000
     3  C    2.523933   1.538148   0.000000
     4  O    3.622433   2.409658   1.336332   0.000000
     5  O    1.422636   2.440185   3.788752   4.776165   0.000000
     6  N    2.517847   1.466132   2.462720   2.602852   2.959946
     7  O    2.886100   2.412996   1.201295   2.233526   4.245333
     8  H    2.143109   1.094800   2.107675   2.952998   2.691549
     9  H    1.093010   2.152597   2.809505   3.720231   2.022276
    10  H    1.090602   2.156653   2.688055   3.972659   2.095260
    11  H    3.595758   2.261736   1.856884   0.984751   4.532257
    12  H    2.578916   2.054723   2.934997   3.045908   2.960632
    13  H    2.939781   2.058739   3.300853   3.484829   2.916367
    14  H    1.959026   2.808813   4.131256   5.207075   0.962654
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.590193   0.000000
     8  H    2.077521   2.791174   0.000000
     9  H    2.761450   3.163677   3.046598   0.000000
    10  H    3.440152   2.578182   2.494529   1.762736   0.000000
    11  H    1.906968   2.983483   2.814835   3.701252   4.183646
    12  H    1.015093   3.982570   2.899223   2.428167   3.603376
    13  H    1.011144   4.383306   2.246967   3.351027   3.882402
    14  H    3.517973   4.466421   2.689913   2.800313   2.241932
                   11         12         13         14
    11  H    0.000000
    12  H    2.394599   0.000000
    13  H    2.730590   1.623954   0.000000
    14  H    5.016860   3.729420   3.343626   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.76D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251931   -0.663665    0.331107
      2          6           0        0.190209    0.204684   -0.343882
      3          6           0       -1.219712   -0.345036   -0.068508
      4          8           0       -2.135841    0.604859    0.141712
      5          8           0        2.566231   -0.222951    0.011296
      6          7           0        0.254758    1.625934    0.010270
      7          8           0       -1.475770   -1.518722   -0.066506
      8          1           0        0.319391    0.128518   -1.428362
      9          1           0        1.154507   -0.574017    1.416069
     10          1           0        1.091659   -1.710334    0.069937
     11          1           0       -1.642859    1.455867    0.091840
     12          1           0        0.567016    1.739291    0.969467
     13          1           0        0.922995    2.115293   -0.569730
     14          1           0        2.832457   -0.617546   -0.825436
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5840691           1.8388701           1.3785007
 Leave Link  202 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       321.8548095216 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0066810770 Hartrees.
 Nuclear repulsion after empirical dispersion term =      321.8481284446 Hartrees.
 Leave Link  301 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.20D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer04_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:03:39 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.900632365638    
 DIIS: error= 1.62D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.900632365638     IErMin= 1 ErrMin= 1.62D-03
 ErrMax= 1.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.42D-03 BMatP= 6.42D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.62D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.414 Goal=   None    Shift=    0.000
 GapD=    0.414 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.50D-03 MaxDP=3.04D-01              OVMax= 1.47D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.45D-03    CP:  9.68D-01
 E= -398.906243983751     Delta-E=       -0.005611618113 Rises=F Damp=F
 DIIS: error= 4.68D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.906243983751     IErMin= 2 ErrMin= 4.68D-04
 ErrMax= 4.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-04 BMatP= 6.42D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.68D-03
 Coeff-Com: -0.447D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.445D-01 0.104D+01
 Gap=     0.374 Goal=   None    Shift=    0.000
 RMSDP=1.15D-03 MaxDP=6.49D-02 DE=-5.61D-03 OVMax= 4.77D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.79D-04    CP:  9.61D-01  1.15D+00
 E= -398.906401120724     Delta-E=       -0.000157136973 Rises=F Damp=F
 DIIS: error= 3.91D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.906401120724     IErMin= 3 ErrMin= 3.91D-04
 ErrMax= 3.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-04 BMatP= 1.58D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.91D-03
 Coeff-Com: -0.468D-01 0.527D+00 0.520D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.466D-01 0.525D+00 0.522D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.51D-04 MaxDP=8.31D-03 DE=-1.57D-04 OVMax= 1.76D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.77D-05    CP:  9.60D-01  1.17D+00  1.13D+00
 E= -398.906499354866     Delta-E=       -0.000098234142 Rises=F Damp=F
 DIIS: error= 5.71D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.906499354866     IErMin= 4 ErrMin= 5.71D-05
 ErrMax= 5.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.37D-06 BMatP= 1.41D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.207D-02-0.355D-01 0.817D-01 0.956D+00
 Coeff:     -0.207D-02-0.355D-01 0.817D-01 0.956D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.22D-04 MaxDP=6.85D-03 DE=-9.82D-05 OVMax= 8.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.42D-05    CP:  9.59D-01  1.18D+00  1.28D+00  1.17D+00
 E= -398.906504048817     Delta-E=       -0.000004693951 Rises=F Damp=F
 DIIS: error= 3.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.906504048817     IErMin= 5 ErrMin= 3.44D-05
 ErrMax= 3.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.32D-07 BMatP= 3.37D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.347D-02-0.633D-01-0.139D-01 0.417D+00 0.657D+00
 Coeff:      0.347D-02-0.633D-01-0.139D-01 0.417D+00 0.657D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.51D-05 MaxDP=1.31D-03 DE=-4.69D-06 OVMax= 3.01D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.97D-06    CP:  9.59D-01  1.18D+00  1.31D+00  1.25D+00  1.08D+00
 E= -398.906504859666     Delta-E=       -0.000000810849 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.906504859666     IErMin= 6 ErrMin= 1.17D-05
 ErrMax= 1.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-07 BMatP= 8.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-02-0.264D-01-0.125D-01 0.111D+00 0.304D+00 0.623D+00
 Coeff:      0.181D-02-0.264D-01-0.125D-01 0.111D+00 0.304D+00 0.623D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.63D-06 MaxDP=1.75D-04 DE=-8.11D-07 OVMax= 1.01D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  9.59D-01  1.18D+00  1.32D+00  1.26D+00  1.14D+00
                    CP:  1.10D+00
 E= -398.906504943909     Delta-E=       -0.000000084243 Rises=F Damp=F
 DIIS: error= 3.53D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.906504943909     IErMin= 7 ErrMin= 3.53D-06
 ErrMax= 3.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-08 BMatP= 1.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.640D-05 0.247D-02-0.111D-02-0.435D-01-0.165D-01 0.253D+00
 Coeff-Com:  0.805D+00
 Coeff:     -0.640D-05 0.247D-02-0.111D-02-0.435D-01-0.165D-01 0.253D+00
 Coeff:      0.805D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.05D-06 MaxDP=5.25D-05 DE=-8.42D-08 OVMax= 4.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.89D-07    CP:  9.59D-01  1.18D+00  1.32D+00  1.27D+00  1.17D+00
                    CP:  1.18D+00  1.00D+00
 E= -398.906504958702     Delta-E=       -0.000000014793 Rises=F Damp=F
 DIIS: error= 5.64D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.906504958702     IErMin= 8 ErrMin= 5.64D-07
 ErrMax= 5.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.78D-10 BMatP= 1.24D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-03 0.223D-02 0.728D-03-0.161D-01-0.233D-01 0.299D-02
 Coeff-Com:  0.157D+00 0.877D+00
 Coeff:     -0.114D-03 0.223D-02 0.728D-03-0.161D-01-0.233D-01 0.299D-02
 Coeff:      0.157D+00 0.877D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.54D-07 MaxDP=2.64D-05 DE=-1.48D-08 OVMax= 1.04D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.72D-07    CP:  9.59D-01  1.18D+00  1.32D+00  1.27D+00  1.18D+00
                    CP:  1.19D+00  1.06D+00  1.20D+00
 E= -398.906504959346     Delta-E=       -0.000000000644 Rises=F Damp=F
 DIIS: error= 2.25D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.906504959346     IErMin= 9 ErrMin= 2.25D-07
 ErrMax= 2.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-11 BMatP= 3.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.273D-04 0.395D-03 0.242D-03-0.126D-02-0.464D-02-0.178D-01
 Coeff-Com: -0.854D-02 0.235D+00 0.796D+00
 Coeff:     -0.273D-04 0.395D-03 0.242D-03-0.126D-02-0.464D-02-0.178D-01
 Coeff:     -0.854D-02 0.235D+00 0.796D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.87D-07 MaxDP=8.82D-06 DE=-6.44D-10 OVMax= 3.18D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.00D-08    CP:  9.59D-01  1.18D+00  1.32D+00  1.27D+00  1.18D+00
                    CP:  1.19D+00  1.06D+00  1.26D+00  1.10D+00
 E= -398.906504959388     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 8.43D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.906504959388     IErMin=10 ErrMin= 8.43D-08
 ErrMax= 8.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-12 BMatP= 4.07D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.533D-05-0.167D-03-0.205D-04 0.190D-02 0.163D-02-0.820D-02
 Coeff-Com: -0.254D-01-0.399D-01 0.274D+00 0.796D+00
 Coeff:      0.533D-05-0.167D-03-0.205D-04 0.190D-02 0.163D-02-0.820D-02
 Coeff:     -0.254D-01-0.399D-01 0.274D+00 0.796D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.24D-08 MaxDP=3.92D-06 DE=-4.15D-11 OVMax= 1.37D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.73D-08    CP:  9.59D-01  1.18D+00  1.32D+00  1.27D+00  1.18D+00
                    CP:  1.19D+00  1.07D+00  1.28D+00  1.20D+00  1.15D+00
 E= -398.906504959416     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 3.26D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.906504959416     IErMin=11 ErrMin= 3.26D-08
 ErrMax= 3.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.40D-13 BMatP= 7.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.444D-05-0.982D-04-0.318D-04 0.847D-03 0.108D-02-0.164D-02
 Coeff-Com: -0.829D-02-0.337D-01 0.350D-01 0.294D+00 0.713D+00
 Coeff:      0.444D-05-0.982D-04-0.318D-04 0.847D-03 0.108D-02-0.164D-02
 Coeff:     -0.829D-02-0.337D-01 0.350D-01 0.294D+00 0.713D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=7.18D-07 DE=-2.88D-11 OVMax= 3.51D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.98D-09    CP:  9.59D-01  1.18D+00  1.32D+00  1.27D+00  1.18D+00
                    CP:  1.19D+00  1.07D+00  1.28D+00  1.22D+00  1.20D+00
                    CP:  1.14D+00
 E= -398.906504959406     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 9.80D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -398.906504959416     IErMin=12 ErrMin= 9.80D-09
 ErrMax= 9.80D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.01D-14 BMatP= 7.40D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.359D-06-0.474D-06-0.743D-05-0.673D-04 0.430D-04 0.640D-03
 Coeff-Com:  0.160D-02-0.224D-02-0.328D-01-0.416D-01 0.192D+00 0.882D+00
 Coeff:      0.359D-06-0.474D-06-0.743D-05-0.673D-04 0.430D-04 0.640D-03
 Coeff:      0.160D-02-0.224D-02-0.328D-01-0.416D-01 0.192D+00 0.882D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.44D-09 MaxDP=2.14D-07 DE= 1.02D-11 OVMax= 2.00D-07

 SCF Done:  E(RwB97XD) =  -398.906504959     A.U. after   12 cycles
            NFock= 12  Conv=0.54D-08     -V/T= 2.0060
 KE= 3.965378467877D+02 PE=-1.579014305849D+03 EE= 4.617218256575D+02
 Leave Link  502 at Thu Aug 12 22:04:33 2021, MaxMem=  5368709120 cpu:             429.8 elap:              53.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.53775250D+02

 Leave Link  801 at Thu Aug 12 22:04:33 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.69D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 2.14D-01 6.66D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 3.01D-02 3.33D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.04D-03 9.20D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.09D-04 1.96D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 3.18D-06 2.72D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.27D-07 5.07D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 3.06D-09 6.90D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 6.05D-11 1.07D-06.
      7 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 8.34D-13 1.46D-07.
      2 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 1.13D-14 1.82D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.660025D+02
      2  0.235798D+00  0.645945D+02
      3 -0.170736D+01  0.364624D+00  0.486364D+02
 Isotropic polarizability for W=    0.088559       59.74 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.236124D+02 -0.300331D+01 -0.240387D+01
      2  -0.186111D+02  0.349914D+01  0.876833D+00
      3  -0.500132D+01 -0.495832D+00  0.152704D+01
      4   0.437413D+01 -0.106864D+02 -0.146328D+01
      5  -0.328093D+01 -0.388065D+01  0.293142D+02
      6  -0.130068D+01 -0.431312D+00  0.642027D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.113565D+00 -0.187182D+01 -0.167158D+01
      2  -0.345810D-01 -0.484246D+00  0.132888D+02
      3   0.516849D+01  0.574504D+01  0.154656D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.241737D+01 -0.130815D+01 -0.691610D+01
      2   0.877056D+00 -0.162596D+00  0.343155D+02
      3   0.737744D+01 -0.792469D+01  0.257997D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.731838D-01  0.422715D+00 -0.816558D+00
      2   0.422715D+00  0.675851D+00 -0.145960D+01
      3  -0.816558D+00 -0.145960D+01  0.346086D+00
 OR G Eigenvalues:    -1.0950    -0.2522     2.2959  Iso=    -0.3163
 Eigenvectors:
   (1)   0.384007   0.530965   0.755391
   (2)   0.856458  -0.510510  -0.076547
   (3)   0.344991   0.676355  -0.650788
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3163 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -152.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 5.89D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.79D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.47D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 4.23D-02 4.85D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 7.09D-04 3.26D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 8.92D-06 4.01D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 9.20D-08 3.86D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 7.23D-10 2.54D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 5.02D-12 2.82D-07.
     28 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 3.18D-14 2.33D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   238 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.19D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.19D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.63D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.660025D+02  0.235798D+00 -0.170736D+01
      2   0.235798D+00  0.645945D+02  0.364624D+00
      3  -0.170736D+01  0.364624D+00  0.486364D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.113565D+00 -0.187182D+01 -0.167158D+01
      2  -0.345810D-01 -0.484246D+00  0.132888D+02
      3   0.516849D+01  0.574504D+01  0.154656D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.236124D+02 -0.300331D+01 -0.240387D+01
      2  -0.186111D+02  0.349914D+01  0.876833D+00
      3  -0.500132D+01 -0.495832D+00  0.152704D+01
      4   0.437413D+01 -0.106864D+02 -0.146328D+01
      5  -0.328093D+01 -0.388065D+01  0.293142D+02
      6  -0.130068D+01 -0.431312D+00  0.642027D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.517492D+00 -0.192159D+01  0.995090D+00 -0.330543D+01  0.143405D+01
      2  -0.192159D+01  0.245059D+01 -0.299928D+00  0.143405D+01  0.440564D+01
      3   0.995090D+00 -0.299928D+00  0.167621D+01 -0.399724D+00  0.116954D+01
                 6             7             8             9            10 
      1  -0.399724D+00  0.205232D+01 -0.607346D+00  0.991197D+00 -0.352666D-02
      2   0.116954D+01 -0.607346D+00  0.162496D+01 -0.370353D-01  0.303531D+01
      3  -0.394977D+00  0.991197D+00 -0.370353D-01 -0.737897D+01 -0.842530D+00
                11            12            13            14            15 
      1   0.303531D+01 -0.842530D+00  0.262440D+01 -0.334637D+00  0.288173D-01
      2  -0.204015D+01  0.572984D+00 -0.334637D+00 -0.333963D+01 -0.754517D+00
      3   0.572984D+00 -0.691885D+00  0.288173D-01 -0.754517D+00  0.848260D+00
                16            17            18            19            20 
      1  -0.972541D+00  0.109126D+01 -0.116217D+01 -0.218844D+01 -0.186354D+01
      2   0.109126D+01 -0.128490D+01  0.388401D+00 -0.186354D+01  0.161020D+01
      3  -0.116217D+01  0.388401D+00  0.698152D+01 -0.254101D-01  0.144364D+00
                21            22            23            24            25 
      1  -0.254101D-01  0.493496D-01  0.249404D+01  0.274934D+00 -0.901117D+00
      2   0.144364D+00  0.249404D+01  0.626682D+01  0.402230D-01  0.318454D+00
      3  -0.434557D+00  0.274934D+00  0.402230D-01  0.454029D+00 -0.164009D+00
                26            27            28            29            30 
      1   0.318454D+00 -0.164009D+00 -0.828272D+01  0.163320D+01  0.559290D+00
      2   0.564407D+00  0.244005D+00  0.163320D+01 -0.272916D+01 -0.206484D+00
      3   0.244005D+00 -0.379629D+00  0.559290D+00 -0.206484D+00 -0.102891D+01
                31            32            33            34            35 
      1  -0.153554D+01 -0.380437D+01  0.228596D-01  0.161468D+01 -0.191921D+00
      2  -0.380437D+01 -0.825513D+00  0.247307D+00 -0.191921D+00  0.197581D+00
      3   0.228596D-01  0.247307D+00  0.574876D+00 -0.175199D+01  0.120761D+01
                36            37            38            39            40 
      1  -0.175199D+01  0.738182D+01  0.640336D+00  0.108380D+01  0.279645D+01
      2   0.120761D+01  0.640336D+00  0.233333D+00 -0.379259D+00  0.661384D+00
      3   0.915394D+00  0.108380D+01 -0.379259D+00 -0.128863D+01 -0.716005D+00
                41            42            43            44            45 
      1   0.661384D+00 -0.716005D+00  0.254275D+01 -0.496487D+00 -0.770249D+00
      2   0.114121D+01  0.295007D+00 -0.496487D+00  0.863750D+00  0.130083D+01
      3   0.295007D+00  0.176396D+01 -0.770249D+00  0.130083D+01  0.415122D+01
                46            47            48            49            50 
      1  -0.213201D+01 -0.199320D+01  0.105890D+01 -0.113204D+01 -0.172179D+01
      2  -0.199320D+01 -0.164931D+01  0.164871D+00 -0.172179D+01  0.496698D+01
      3   0.105890D+01  0.164871D+00 -0.218276D+01  0.423644D+00  0.694819D+00
                51            52            53            54            55 
      1   0.423644D+00  0.124297D+01  0.448436D+00 -0.223593D+01 -0.215368D+01
      2   0.694819D+00  0.448436D+00  0.732155D+00 -0.980228D+00 -0.319960D+01
      3  -0.776597D+00 -0.223593D+01 -0.980228D+00 -0.381282D+01 -0.749641D-01
                56            57            58            59            60 
      1  -0.319960D+01 -0.749641D-01 -0.439556D+01 -0.279564D+01 -0.698354D-01
      2  -0.279498D+01 -0.241313D+00 -0.279564D+01 -0.130975D+02 -0.125570D+00
      3  -0.241313D+00 -0.316090D+00 -0.698354D-01 -0.125570D+00 -0.244657D+01
                61            62            63            64            65 
      1  -0.191272D-01 -0.567326D-01 -0.109631D+01  0.436914D+00 -0.478614D+00
      2  -0.567326D-01 -0.282937D-01 -0.316274D+01 -0.478614D+00  0.473129D+00
      3  -0.109631D+01 -0.316274D+01 -0.353990D-01 -0.111509D+01 -0.634541D-01
                66            67            68            69            70 
      1  -0.111509D+01 -0.111658D+01  0.363719D+00  0.135128D+00 -0.177533D+01
      2  -0.634541D-01  0.363719D+00  0.452587D+00 -0.105327D+01 -0.167708D+00
      3   0.110888D+01  0.135128D+00 -0.105327D+01 -0.567492D+00  0.900524D+00
                71            72            73            74            75 
      1  -0.167708D+00  0.900524D+00  0.259054D-01  0.251059D+00  0.900610D+00
      2  -0.148940D+01 -0.598020D-01  0.251059D+00 -0.313114D+00  0.934033D-01
      3  -0.598020D-01 -0.831207D+01  0.900610D+00  0.934033D-01 -0.733305D+00
                76            77            78            79            80 
      1   0.896535D+00 -0.126511D+00  0.185243D-02  0.168234D+01 -0.214854D+00
      2  -0.126511D+00 -0.383053D+00  0.960049D+00 -0.214854D+00  0.136803D+01
      3   0.185243D-02  0.960049D+00  0.709281D+00  0.130023D+00 -0.633548D+00
                81            82            83            84            85 
      1   0.130023D+00 -0.702378D+00 -0.888638D+00 -0.372466D+00 -0.149303D+01
      2  -0.633548D+00 -0.888638D+00 -0.436511D+00  0.737001D-01  0.669931D-02
      3   0.841459D+01 -0.372466D+00  0.737001D-01 -0.194210D+00  0.440028D-02
                86            87            88            89            90 
      1   0.669931D-02  0.440028D-02 -0.105241D+01  0.110095D+00 -0.108423D+00
      2  -0.817233D+01 -0.441977D+00  0.110095D+00 -0.130577D+01 -0.107785D+01
      3  -0.441977D+00 -0.111366D+01 -0.108423D+00 -0.107785D+01  0.639392D-01
                91            92            93            94            95 
      1   0.245692D+01  0.203558D+01 -0.344664D+00  0.455358D+01  0.243952D+00
      2   0.203558D+01  0.617602D+00  0.555730D-01  0.243952D+00  0.480269D+01
      3  -0.344664D+00  0.555730D-01 -0.346038D+00 -0.280878D+00  0.133232D+00
                96            97            98            99           100 
      1  -0.280878D+00 -0.511049D+00 -0.167628D+00 -0.548151D+00  0.369161D+00
      2   0.133232D+00 -0.167628D+00 -0.104365D+00  0.593978D+00  0.794164D+00
      3   0.874004D+00 -0.548151D+00  0.593978D+00  0.110868D+00  0.755052D+00
               101           102           103           104           105 
      1   0.794164D+00  0.755052D+00  0.715493D+00  0.381431D+00  0.462637D+00
      2   0.713649D+00  0.740246D+00  0.381431D+00  0.125219D+01  0.750636D+00
      3   0.740246D+00  0.125516D+01  0.462637D+00  0.750636D+00  0.847546D+00
               106           107           108           109           110 
      1   0.178620D+01  0.597358D+00  0.166218D+01  0.281248D+01  0.248649D+01
      2   0.597358D+00  0.247697D+01  0.195205D+01  0.248649D+01  0.311712D+01
      3   0.166218D+01  0.195205D+01  0.581637D+01 -0.114001D+01 -0.101502D+01
               111           112           113           114           115 
      1  -0.114001D+01  0.271426D+01  0.218792D+01 -0.858028D+00 -0.227450D+01
      2  -0.101502D+01  0.218792D+01  0.341803D+01 -0.992197D+00 -0.142724D+01
      3   0.142677D+01 -0.858028D+00 -0.992197D+00  0.112214D+01  0.140655D+01
               116           117           118           119           120 
      1  -0.142724D+01  0.140655D+01  0.249705D+01 -0.530965D+00 -0.143761D+01
      2  -0.223039D+01  0.149390D+01 -0.530965D+00  0.747612D+00  0.360319D+00
      3   0.149390D+01 -0.165804D+01 -0.143761D+01  0.360319D+00  0.174937D+01
               121           122           123           124           125 
      1  -0.137188D+01  0.100976D+01  0.970197D+00 -0.341520D+01  0.764311D+00
      2   0.100976D+01 -0.888154D+00 -0.923290D+00  0.764311D+00 -0.138472D+01
      3   0.970197D+00 -0.923290D+00 -0.189480D+01  0.274677D+01 -0.122957D+01
               126 
      1   0.274677D+01
      2  -0.122957D+01
      3  -0.487698D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.177476D+01  0.275191D+00  0.972072D+00 -0.154422D+01  0.707343D+01
      2   0.163534D+01 -0.104138D+00  0.851448D+00 -0.120034D+01  0.514445D+00
      3   0.221805D+01  0.154655D+01 -0.705698D+00  0.665794D+01 -0.786561D+01
                 6             7             8             9            10 
      1  -0.171051D+01  0.216078D+00  0.207009D+01 -0.565453D+01 -0.127596D+01
      2  -0.605226D+00 -0.321210D+01  0.640843D+00 -0.671390D+01  0.297784D+01
      3  -0.817728D+00 -0.202431D+01 -0.169661D+01 -0.430183D+00  0.115580D+01
                11            12            13            14            15 
      1   0.709156D+00 -0.697300D+00  0.753556D+00  0.242363D+00 -0.399335D+00
      2  -0.880870D+00  0.309131D+01  0.182047D+01 -0.192304D+01  0.113023D+01
      3  -0.558023D+01  0.620849D+00 -0.104566D+01  0.127384D+01  0.830310D+00
                16            17            18            19            20 
      1  -0.119709D+01  0.454445D+01  0.816794D-01  0.772675D+00  0.966732D+00
      2  -0.314395D+01  0.227796D+00  0.113183D+01 -0.535274D+01  0.744582D-01
      3  -0.281688D+00  0.100356D+01  0.644044D+00 -0.597443D+01  0.254705D+00
                21            22            23            24            25 
      1   0.325706D+00  0.166527D+01 -0.368209D+00  0.919380D+01 -0.191914D+00
      2  -0.542625D+01 -0.725646D+00  0.136065D+01 -0.187336D+01 -0.182152D+02
      3  -0.230122D+00  0.415284D+00  0.979240D+01 -0.160437D+01  0.215959D+01
                26            27            28            29            30 
      1   0.972912D+01  0.584142D+00 -0.999442D+00 -0.996959D+00  0.279895D+01
      2  -0.159320D+01  0.383104D+01  0.444545D+00  0.251598D+00  0.764798D+01
      3  -0.221521D+01  0.995878D+00 -0.565331D+01 -0.151617D+02  0.207462D+00
                31            32            33            34            35 
      1  -0.529626D+00 -0.819404D+00 -0.391378D+01  0.752857D+00  0.212206D+01
      2   0.869517D+00 -0.207052D+00 -0.949006D+00  0.524135D+01 -0.925797D+00
      3  -0.112691D+02 -0.884443D+01  0.495010D+00  0.366398D+00  0.214691D+01
                36            37            38            39            40 
      1  -0.670678D+00 -0.244716D+00 -0.210538D+00  0.298977D+00  0.154554D+01
      2  -0.260222D+01  0.169222D+01 -0.174892D+01  0.245277D+01 -0.187156D+01
      3   0.167709D+01 -0.706204D+01 -0.789071D+01  0.186673D+01  0.606400D+00
                41            42            43            44            45 
      1  -0.925020D+00 -0.244065D+01  0.188501D+01  0.136527D+01  0.101964D+01
      2   0.127888D+01  0.574681D+01 -0.723535D+01  0.379541D+01  0.123833D+02
      3  -0.535579D+01 -0.206430D+01  0.169691D+01 -0.266777D+01 -0.468091D+01
                46            47            48            49            50 
      1  -0.229461D+01 -0.121802D+01  0.535382D+01 -0.220563D+01 -0.385045D+01
      2  -0.102759D+00  0.149952D+01  0.356176D+01  0.617674D+00  0.814796D+00
      3  -0.510901D+01 -0.110207D+02  0.142630D+01  0.206742D+01 -0.227624D+01
                51            52            53            54            55 
      1  -0.267928D+01  0.597232D+01  0.726179D+01  0.738640D+01  0.228739D+00
      2  -0.826720D+00 -0.326962D+01 -0.804402D+00  0.261001D+00  0.329512D+00
      3   0.712805D+00  0.300237D+01  0.120352D+01 -0.511321D+01  0.251743D+00
                56            57            58            59            60 
      1   0.916905D-01 -0.294505D+01  0.709756D-02  0.107651D+01 -0.109737D+02
      2   0.213497D+00  0.483226D+01 -0.141863D+01 -0.606279D+00  0.456915D+01
      3  -0.528450D+01 -0.265585D+00  0.963884D+01 -0.181613D+02  0.298287D+00
                61            62            63            64            65 
      1  -0.399623D+00  0.872088D+00  0.181073D+00  0.208538D+00 -0.825045D+00
      2   0.262305D+01  0.446989D+01 -0.103969D+01  0.385080D+00 -0.423066D-01
      3  -0.123791D+01  0.371227D+00 -0.442745D+01  0.226575D+00 -0.751439D+00
                66            67            68            69            70 
      1   0.223109D+00 -0.526943D+00 -0.456338D+00 -0.383299D+00  0.164616D+00
      2   0.955113D+00 -0.307156D+00  0.396774D+00 -0.644903D+00 -0.252644D+01
      3  -0.184425D+00  0.137825D+01 -0.262844D+00  0.201705D+00 -0.800270D-02
                71            72            73            74            75 
      1   0.315206D+01  0.957808D+00  0.942525D+00 -0.510792D+00 -0.234812D+00
      2  -0.142192D+00 -0.136444D+01  0.132639D+01  0.338849D-01 -0.328265D-01
      3   0.405918D+00  0.252522D+00 -0.122811D+00 -0.696651D+00 -0.825729D+00
                76            77            78            79            80 
      1  -0.236324D+00  0.458719D+00 -0.321094D-01  0.381682D-01  0.322153D+01
      2  -0.412994D+00  0.140963D+01  0.751075D+00 -0.384453D+01 -0.531728D+00
      3   0.178352D+00  0.482590D+00 -0.106503D+01 -0.112442D+01 -0.138529D+01
                81            82            83            84            85 
      1   0.664055D+01 -0.113640D+01 -0.310238D-01 -0.337867D+00 -0.894023D-01
      2   0.962503D+01 -0.116689D+00  0.342258D+00  0.521005D+00  0.303410D+00
      3   0.600732D+00  0.306050D+01  0.137491D+01  0.595102D+00  0.523637D+01
                86            87            88            89            90 
      1  -0.420708D+01 -0.398640D+01  0.342402D-01 -0.105831D+01 -0.609680D+00
      2   0.217821D+00 -0.975499D+00 -0.832859D+00 -0.971813D+00  0.118621D+00
      3   0.997575D+01  0.564794D+00  0.170823D+01  0.145781D+01  0.113560D+01
                91            92            93            94            95 
      1   0.110580D+01  0.810902D+00  0.933932D+00  0.764697D+00  0.115706D+01
      2  -0.449485D+00 -0.500126D+00 -0.139310D+01 -0.263103D+00 -0.645435D+00
      3   0.868850D+01  0.948422D+01 -0.495236D+00  0.123810D+02  0.158278D+02
                96            97            98            99           100 
      1  -0.114832D+01  0.801825D+00  0.102447D+01  0.138309D+00 -0.141911D+01
      2  -0.212251D+01 -0.200141D+01 -0.178510D+01  0.125119D+00 -0.574763D+00
      3   0.987090D-01 -0.952936D+00 -0.112625D+01  0.467733D-01  0.762469D+00
               101           102           103           104           105 
      1  -0.755585D+00 -0.311905D+01 -0.667483D+00 -0.178655D+01 -0.234993D+01
      2   0.170654D+00  0.497495D+00  0.254475D-01 -0.115415D+00  0.427859D+00
      3   0.857672D+00  0.102047D+01  0.186550D+01  0.553446D+00  0.779896D+00
               106           107           108           109           110 
      1  -0.416907D+01 -0.206986D+01 -0.121613D+02  0.239388D+01  0.203173D+01
      2  -0.206392D+01  0.616442D+00  0.840227D+00  0.824802D+00 -0.251030D+00
      3   0.370283D+01  0.133855D+00  0.335950D+01  0.644071D+01  0.287914D+01
               111           112           113           114           115 
      1  -0.377633D+01  0.196666D+01  0.189215D+01 -0.269838D+01 -0.311073D+01
      2   0.103388D+01  0.427914D-01  0.900978D-01  0.781577D+00 -0.881496D+00
      3  -0.223778D+01  0.625329D+01  0.297323D+01 -0.175088D+01 -0.545626D+01
               116           117           118           119           120 
      1  -0.181746D+01  0.309468D+01 -0.566748D-01 -0.337440D+00  0.203843D+00
      2   0.361500D+00 -0.813498D+00 -0.387246D+01  0.112304D+01  0.572532D+01
      3  -0.197293D+01  0.260510D+01  0.998699D+00 -0.230955D+01 -0.974862D+00
               121           122           123           124           125 
      1  -0.500266D-01  0.331317D+00 -0.796330D+00 -0.678143D+00  0.188097D+01
      2   0.252013D+01 -0.258588D+01 -0.540947D+01  0.635819D+01 -0.347508D+01
      3  -0.135963D+01  0.200460D+01  0.246575D+01 -0.155080D+01  0.434125D+01
               126 
      1  -0.805628D+00
      2  -0.149274D+02
      3   0.333452D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.204342D+02 -0.683319D+00 -0.101350D+01 -0.861177D+01  0.131114D+02
      2   0.957608D+01 -0.190651D+01 -0.228973D+01  0.376984D+01 -0.176646D+02
      3   0.108581D+02  0.258983D+01  0.330323D+01  0.484193D+01  0.455324D+01
      4  -0.200326D+01 -0.692987D+00 -0.411834D+00  0.804564D+01  0.652945D+01
      5   0.194695D+01 -0.520534D+00 -0.228960D+01 -0.114068D+01  0.220747D+01
      6  -0.411142D+01  0.369469D+01 -0.216591D+01  0.131985D+01 -0.393517D+01
                 6             7             8             9            10 
      1   0.110769D+01  0.642348D+01  0.101776D+01  0.138386D+02 -0.379943D+01
      2  -0.192813D+01 -0.345361D+01 -0.184562D+01  0.333208D+01  0.636144D+01
      3   0.820441D+00 -0.296987D+01  0.827857D+00 -0.171707D+02 -0.256201D+01
      4   0.236872D+01 -0.261662D+01  0.402671D+01 -0.163104D+01  0.796916D+00
      5  -0.151420D+01  0.373459D+01 -0.277223D+00 -0.148809D+02 -0.237123D+00
      6   0.198123D+01 -0.116223D+01  0.433012D+00  0.491844D+01  0.183405D+01
                11            12            13            14            15 
      1   0.213891D+01 -0.120730D+01  0.476807D+00  0.413897D+01  0.135257D+01
      2  -0.187247D+01 -0.228391D+00  0.233607D+00 -0.907016D+01 -0.688607D+00
      3  -0.266434D+00  0.143569D+01 -0.710414D+00  0.493119D+01 -0.663958D+00
      4   0.378849D+01  0.906042D+00 -0.720792D+01  0.123367D+01 -0.796439D+00
      5   0.756557D+00  0.144523D+01 -0.464170D+00 -0.199813D+00  0.160143D+01
      6  -0.220391D+01 -0.916957D-01 -0.249647D+01  0.150867D+00 -0.345958D+01
                16            17            18            19            20 
      1  -0.580133D+01  0.185835D+01  0.541141D+01 -0.485760D+01  0.104139D+02
      2   0.332558D+00 -0.401590D+01  0.110232D+02  0.210268D-01 -0.109718D+02
      3   0.546878D+01  0.215755D+01 -0.164346D+02  0.483658D+01  0.557893D+00
      4  -0.137864D+01 -0.942826D+00  0.140743D+01  0.358984D+01 -0.123903D+02
      5  -0.211751D+01 -0.135416D+00  0.849316D+01  0.188760D+00 -0.186628D+01
      6   0.646555D+00  0.960175D+00  0.825130D+00 -0.692119D+00  0.127647D+00
                21            22            23            24            25 
      1  -0.118866D+01  0.215724D+01  0.613621D+01 -0.126758D+00  0.437789D+00
      2  -0.242555D+01 -0.547900D+01 -0.180953D+02  0.101481D+01 -0.123572D+01
      3   0.361421D+01  0.332175D+01  0.119591D+02 -0.888049D+00  0.797932D+00
      4  -0.118409D+01 -0.234497D+02 -0.233242D+02 -0.317558D-01 -0.475181D+00
      5  -0.707941D+01 -0.244457D+01 -0.128418D+01 -0.192851D+01  0.227506D+01
      6   0.133495D+01 -0.823788D+00 -0.168853D+01 -0.141192D+02 -0.429634D+00
                26            27            28            29            30 
      1  -0.256634D+01 -0.513958D+01  0.423519D+02 -0.778786D+01 -0.109136D+01
      2   0.133239D+01 -0.672547D+01 -0.259509D+02  0.202290D+01  0.201667D+01
      3   0.123395D+01  0.118651D+02 -0.164010D+02  0.576496D+01 -0.925310D+00
      4   0.260726D+01 -0.247993D+01 -0.197649D+02  0.174281D+02  0.139912D+01
      5  -0.177600D+01  0.340083D+01 -0.259837D+01  0.583928D+00  0.144429D+02
      6   0.368826D+01 -0.533683D+00  0.963666D+00 -0.369619D+00 -0.477333D+01
                31            32            33            34            35 
      1   0.464697D+01  0.101236D+02 -0.107670D+01 -0.929352D+00  0.533154D+00
      2  -0.645505D+01 -0.353706D+01  0.293108D+00  0.173867D+01  0.120545D+00
      3   0.180809D+01 -0.658652D+01  0.783588D+00 -0.809321D+00 -0.653699D+00
      4   0.166204D+02 -0.466549D+01 -0.140816D+01  0.147955D+01 -0.176454D+01
      5  -0.498897D+00 -0.146124D+01 -0.355609D+01  0.136153D+02 -0.553693D+01
      6  -0.756970D+00  0.105375D+01  0.815594D+01 -0.204820D+01  0.526896D+01
                36            37            38            39            40 
      1   0.521389D+01  0.486517D+02  0.410023D+01  0.616861D+01  0.154946D+02
      2  -0.781869D+01 -0.250821D+02 -0.235687D+01 -0.275039D+01 -0.945294D+01
      3   0.260480D+01 -0.235696D+02 -0.174335D+01 -0.341822D+01 -0.604163D+01
      4  -0.529706D+01  0.520788D+00  0.115785D+02 -0.395673D+01  0.671727D+01
      5  -0.491535D+01  0.679429D+01 -0.295210D+01  0.380131D+01 -0.426539D+01
      6   0.138414D+01 -0.126298D+01 -0.438682D+00  0.116098D+01  0.178624D+01
                41            42            43            44            45 
      1   0.214944D+01 -0.277472D+01  0.876281D+01 -0.181118D+01 -0.442623D+01
      2   0.339926D+01  0.215571D+01 -0.696445D+01  0.138146D+01  0.100515D+01
      3  -0.554870D+01  0.619009D+00 -0.179837D+01  0.429719D+00  0.342108D+01
      4   0.619351D+01  0.331645D+01 -0.504600D+01  0.451025D+01  0.807396D+01
      5   0.342567D+01  0.986340D+01 -0.935401D+00  0.764215D+01  0.217713D+02
      6  -0.154612D+01  0.107513D+01  0.195621D+01  0.195579D+01 -0.518464D+01
                46            47            48            49            50 
      1   0.134462D+02  0.147448D+01  0.986395D+00  0.230248D+01 -0.174169D+02
      2  -0.124605D+02 -0.491402D+01  0.214175D+01 -0.602358D+01  0.279385D+02
      3  -0.985636D+00  0.343954D+01 -0.312814D+01  0.372109D+01 -0.105216D+02
      4  -0.772399D+01 -0.631840D+01  0.316467D+01  0.407551D+00 -0.607727D+01
      5   0.169798D+01  0.166012D+01  0.267559D+00  0.106895D+01  0.800079D+00
      6   0.478460D+01  0.335999D+01 -0.929263D+01  0.348502D+01  0.459126D+01
                51            52            53            54            55 
      1  -0.687725D+00 -0.100533D+01  0.223517D+00  0.497764D+00  0.106536D+02
      2   0.383350D+01  0.354421D+01  0.441032D+01 -0.867247D+00 -0.136633D+01
      3  -0.314577D+01 -0.253888D+01 -0.463383D+01  0.369483D+00 -0.928731D+01
      4   0.172092D+01  0.409864D+01  0.225976D+01 -0.974930D+01  0.175771D+02
      5  -0.230064D+01  0.935257D+00 -0.393219D+01 -0.352645D+01  0.134845D+01
      6   0.210644D+01 -0.107933D+02 -0.184102D+01 -0.115067D+02  0.754680D+00
                56            57            58            59            60 
      1   0.504518D+01 -0.136579D+00  0.750398D+01 -0.214687D+02 -0.583838D+00
      2   0.337741D+01  0.517577D+00  0.346769D+01  0.423964D+02 -0.241853D-01
      3  -0.842259D+01 -0.380997D+00 -0.109717D+02 -0.209277D+02  0.608023D+00
      4   0.221772D+02  0.833402D+00  0.256027D+02  0.464973D+02  0.120430D+01
      5   0.135661D+01  0.747030D+01  0.147031D+01  0.252078D+01  0.932916D+01
      6   0.771185D+00  0.404710D+01  0.138788D+01  0.172701D+01  0.174556D+02
                61            62            63            64            65 
      1   0.618902D+00 -0.105739D+00 -0.372683D+01  0.112840D+01  0.289569D-01
      2   0.439138D+00 -0.464139D+00  0.287767D+01 -0.401378D+01 -0.459239D-01
      3  -0.105804D+01  0.569877D+00  0.849164D+00  0.288538D+01  0.169670D-01
      4   0.149222D+00 -0.307153D+00  0.110055D+02 -0.356019D+00  0.142120D+01
      5   0.887756D+01  0.111251D+02  0.233202D+00 -0.225018D+01 -0.111032D+00
      6   0.396476D+01  0.139778D+02  0.510432D+00 -0.310324D+00  0.334509D+00
                66            67            68            69            70 
      1  -0.198980D+00 -0.235987D+00 -0.380087D+01 -0.603708D+00  0.119534D+01
      2   0.185307D+01  0.110521D+01  0.592213D+00 -0.109784D+01  0.267390D+01
      3  -0.165409D+01 -0.869221D+00  0.320866D+01  0.170155D+01 -0.386924D+01
      4  -0.372670D+00  0.291547D+01 -0.454133D+00 -0.596297D+00  0.787605D+00
      5   0.685758D+01  0.621603D+00 -0.858412D+00 -0.119551D+01  0.593023D+01
      6   0.246955D+00 -0.255374D+00  0.722359D+00  0.643796D+01 -0.116166D+00
                71            72            73            74            75 
      1   0.782241D+00 -0.165234D+02  0.903590D+00  0.524357D+00  0.396052D+01
      2  -0.867650D+00 -0.160207D+02 -0.336267D+01 -0.187402D+00 -0.647007D+00
      3   0.854083D-01  0.325441D+02  0.245908D+01 -0.336954D+00 -0.331352D+01
      4  -0.419689D+00 -0.760537D+00  0.567855D+00  0.623916D+00 -0.111885D+01
      5   0.318321D-01 -0.718507D+01  0.145403D+01 -0.174502D+00  0.474129D+01
      6   0.453372D+01 -0.183414D+01 -0.728872D+00 -0.775419D+00  0.522104D+00
                76            77            78            79            80 
      1   0.200981D+01 -0.423893D+01 -0.805345D-01  0.524298D+01  0.161821D+01
      2  -0.141812D+01  0.196231D+01 -0.129749D+01 -0.268162D+01 -0.767152D+00
      3  -0.591684D+00  0.227661D+01  0.137803D+01 -0.256136D+01 -0.851056D+00
      4   0.284328D+00 -0.440752D+00  0.244029D+01 -0.207735D+01  0.276453D+01
      5  -0.725108D-01  0.219657D+01  0.172931D+01  0.498977D+01 -0.144921D+01
      6   0.185782D+00 -0.357956D+00  0.485354D+01 -0.194847D+00  0.585241D+01
                81            82            83            84            85 
      1  -0.186902D+02 -0.963061D+00 -0.392987D+01 -0.782618D+00 -0.502938D+01
      2  -0.119633D+02  0.335093D+01  0.294096D+01  0.702354D+00  0.303441D+01
      3   0.306535D+02 -0.238787D+01  0.988908D+00  0.802639D-01  0.199497D+01
      4  -0.591150D-01 -0.145145D+01  0.388807D+01  0.574606D+00  0.528504D+01
      5   0.185224D+02 -0.610266D+00 -0.492347D-01  0.787600D+00 -0.193006D+00
      6  -0.970370D+01  0.724899D+00 -0.312176D+00  0.538779D+00  0.116399D+00
                86            87            88            89            90 
      1  -0.183154D+02 -0.364949D+00 -0.245298D+01 -0.241170D+01 -0.455551D+01
      2   0.310020D+02  0.206269D+01  0.149841D+01  0.395138D+01  0.244818D+01
      3  -0.126866D+02 -0.169774D+01  0.954570D+00 -0.153968D+01  0.210733D+01
      4  -0.173704D+02 -0.907854D+00  0.919601D+00 -0.311310D+01 -0.188402D+01
      5  -0.798348D+00 -0.229382D+01  0.659797D+00 -0.238359D+01  0.123982D+00
      6   0.939356D-01  0.531720D+01  0.296906D+00  0.566822D+01  0.141887D+01
                91            92            93            94            95 
      1  -0.126679D+02 -0.289607D+01  0.438718D+00 -0.132149D+02 -0.673658D+01
      2   0.108072D+02  0.106305D+00 -0.405213D+00  0.733448D+01  0.106873D+02
      3   0.186065D+01  0.278977D+01 -0.335046D-01  0.588045D+01 -0.395076D+01
      4  -0.752474D+00  0.148014D+00 -0.577292D+00  0.728399D+01 -0.160556D+02
      5   0.125336D+01  0.428504D+00 -0.170118D+01  0.122945D+01  0.254692D+00
      6  -0.719549D+00 -0.199200D+00 -0.201840D+01 -0.349165D+00  0.439734D+00
                96            97            98            99           100 
      1   0.454096D+00  0.144896D+01  0.203594D+00 -0.113495D+01 -0.583842D+00
      2  -0.388172D+00 -0.104615D+01 -0.300514D+00  0.326233D+00  0.873238D+00
      3  -0.659241D-01 -0.402811D+00  0.969199D-01  0.808718D+00 -0.289396D+00
      4  -0.651494D+00 -0.386034D+00  0.525461D-01 -0.239533D+01  0.233854D+01
      5  -0.382376D+01  0.222736D+01 -0.228026D+01  0.748779D-01  0.246039D+01
      6   0.165233D+01 -0.131827D+01  0.271853D+01  0.105524D+00  0.262434D+01
               101           102           103           104           105 
      1  -0.110164D+01 -0.805024D+00  0.143834D-01 -0.333250D+01 -0.174288D+01
      2   0.209642D+01  0.427867D+00  0.710185D+00  0.412442D+01  0.237292D+01
      3  -0.994778D+00  0.377157D+00 -0.724569D+00 -0.791915D+00 -0.630047D+00
      4   0.456096D+01  0.285740D+01  0.411518D+01  0.264521D+01  0.255416D+01
      5   0.154539D+01  0.404217D+01  0.745791D+00  0.167318D+01  0.145644D+01
      6   0.310549D+01  0.543146D+01  0.259053D+01  0.331287D+01  0.640942D+01
               106           107           108           109           110 
      1  -0.698418D-01 -0.555176D+01 -0.798077D+01  0.503526D+00 -0.364250D+01
      2  -0.969080D+00  0.478431D+01 -0.216381D+01  0.528036D+01  0.983290D+01
      3   0.103892D+01  0.767446D+00  0.101446D+02 -0.578389D+01 -0.619040D+01
      4   0.539740D+01  0.487697D+01  0.623012D+01  0.121138D+02  0.136855D+02
      5   0.412231D+01  0.317673D+01  0.751158D+01 -0.393064D+01 -0.321831D+01
      6   0.662181D+01  0.923415D+01  0.211221D+02 -0.636906D+01 -0.639220D+01
               111           112           113           114           115 
      1   0.409917D+00 -0.207400D+01 -0.578448D+01  0.161663D+01  0.153894D+01
      2  -0.278950D+01  0.702567D+01  0.130276D+02 -0.415034D+01 -0.316425D+01
      3   0.237958D+01 -0.495167D+01 -0.724316D+01  0.253372D+01  0.162531D+01
      4  -0.543616D+01  0.120876D+02  0.108486D+02 -0.448403D+01 -0.793744D+01
      5   0.434755D+01 -0.158297D+01 -0.287712D+01  0.179012D+01  0.425243D+01
      6   0.672563D+01 -0.521798D+01 -0.671786D+01  0.601554D+01  0.698694D+01
               116           117           118           119           120 
      1   0.372682D+01 -0.314232D+01  0.136705D+02 -0.337037D+01 -0.781662D+01
      2  -0.606020D+01  0.246851D+01 -0.803575D+01  0.172092D+01  0.501472D+01
      3   0.233338D+01  0.673813D+00 -0.563475D+01  0.164945D+01  0.280190D+01
      4  -0.698642D+01  0.642094D+01 -0.521698D+01  0.469627D+01  0.368701D+01
      5   0.350624D+01 -0.383021D+01 -0.922499D+01  0.292551D+01  0.115031D+02
      6   0.869985D+01 -0.761108D+01  0.250810D+01 -0.702308D+00 -0.166600D+01
               121           122           123           124           125 
      1  -0.559738D+01  0.237178D+01  0.326775D+01 -0.142721D+02  0.223998D+01
      2   0.246200D+01 -0.637025D+00 -0.167181D+01  0.104262D+02 -0.190231D+01
      3   0.313538D+01 -0.173475D+01 -0.159594D+01  0.384590D+01 -0.337669D+00
      4   0.729501D+01 -0.532421D+01 -0.643616D+01  0.708525D+01 -0.756429D+01
      5   0.552609D+01 -0.559932D+01 -0.915734D+01  0.174358D+02 -0.747541D+01
      6  -0.267932D+01  0.251849D+01  0.475489D+01 -0.417475D+01  0.344469D+01
               126 
      1   0.793383D+01
      2  -0.103461D+02
      3   0.241227D+01
      4  -0.888162D+01
      5  -0.275008D+02
      6   0.645394D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:13:25 2021, MaxMem=  5368709120 cpu:            4240.3 elap:             531.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31304 -19.29519 -19.25845 -14.47398 -10.43231
 Alpha  occ. eigenvalues --  -10.36277 -10.36041  -1.21313  -1.15061  -1.13012
 Alpha  occ. eigenvalues --   -1.02675  -0.86083  -0.76452  -0.69786  -0.65014
 Alpha  occ. eigenvalues --   -0.62632  -0.60291  -0.57205  -0.55480  -0.53276
 Alpha  occ. eigenvalues --   -0.52739  -0.49708  -0.46791  -0.43984  -0.40629
 Alpha  occ. eigenvalues --   -0.40107  -0.38834  -0.34891
 Alpha virt. eigenvalues --    0.02336   0.03924   0.04701   0.05429   0.06675
 Alpha virt. eigenvalues --    0.07200   0.07733   0.08026   0.10671   0.11387
 Alpha virt. eigenvalues --    0.11847   0.12387   0.13834   0.14750   0.15181
 Alpha virt. eigenvalues --    0.15258   0.15732   0.16052   0.17488   0.18651
 Alpha virt. eigenvalues --    0.18952   0.19387   0.20418   0.20589   0.23754
 Alpha virt. eigenvalues --    0.24755   0.25064   0.25745   0.26707   0.27206
 Alpha virt. eigenvalues --    0.27494   0.28986   0.29637   0.30402   0.30909
 Alpha virt. eigenvalues --    0.31792   0.32090   0.32373   0.32533   0.34466
 Alpha virt. eigenvalues --    0.35438   0.36924   0.37750   0.37928   0.38986
 Alpha virt. eigenvalues --    0.40640   0.41069   0.41885   0.42321   0.43556
 Alpha virt. eigenvalues --    0.45002   0.46486   0.47217   0.47622   0.49232
 Alpha virt. eigenvalues --    0.50465   0.52031   0.52940   0.53916   0.55150
 Alpha virt. eigenvalues --    0.55502   0.56181   0.57777   0.58373   0.60104
 Alpha virt. eigenvalues --    0.60738   0.62943   0.63340   0.64763   0.65656
 Alpha virt. eigenvalues --    0.66704   0.67850   0.68441   0.70326   0.70505
 Alpha virt. eigenvalues --    0.72509   0.73292   0.74523   0.76626   0.77672
 Alpha virt. eigenvalues --    0.79369   0.79461   0.80597   0.81522   0.85617
 Alpha virt. eigenvalues --    0.86414   0.86953   0.89053   0.90264   0.92735
 Alpha virt. eigenvalues --    0.93741   0.95492   0.97810   0.98999   1.00390
 Alpha virt. eigenvalues --    1.02887   1.05033   1.07062   1.07866   1.10664
 Alpha virt. eigenvalues --    1.13272   1.14269   1.14758   1.15465   1.16681
 Alpha virt. eigenvalues --    1.17807   1.19899   1.22296   1.24222   1.26653
 Alpha virt. eigenvalues --    1.29410   1.32705   1.34066   1.34993   1.37452
 Alpha virt. eigenvalues --    1.39689   1.43467   1.44851   1.47190   1.52453
 Alpha virt. eigenvalues --    1.53017   1.56559   1.59130   1.61755   1.63357
 Alpha virt. eigenvalues --    1.64510   1.66514   1.67973   1.70100   1.74549
 Alpha virt. eigenvalues --    1.75285   1.78661   1.80803   1.82737   1.85360
 Alpha virt. eigenvalues --    1.88291   1.89797   1.91896   1.94614   1.97289
 Alpha virt. eigenvalues --    1.97756   1.98964   2.01400   2.04926   2.08531
 Alpha virt. eigenvalues --    2.10178   2.11723   2.14840   2.16591   2.21511
 Alpha virt. eigenvalues --    2.22533   2.23304   2.25059   2.27194   2.29149
 Alpha virt. eigenvalues --    2.30999   2.34122   2.36795   2.38095   2.40514
 Alpha virt. eigenvalues --    2.45225   2.50057   2.50989   2.57903   2.60172
 Alpha virt. eigenvalues --    2.63528   2.67276   2.70116   2.71886   2.76084
 Alpha virt. eigenvalues --    2.76693   2.84342   2.88655   2.92311   2.99378
 Alpha virt. eigenvalues --    3.08805   3.10474   3.20469   3.28315   3.36715
 Alpha virt. eigenvalues --    3.41991   3.44184   3.45592   3.47808   3.48169
 Alpha virt. eigenvalues --    3.51318   3.52147   3.54131   3.55405   3.56893
 Alpha virt. eigenvalues --    3.65480   3.67355   3.79640   3.88647   4.00519
 Alpha virt. eigenvalues --    4.05049
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.355208   0.435923  -0.121157  -0.016655   0.068642  -0.126813
     2  C    0.435923   5.856457  -0.522589   0.175805   0.106989   0.112377
     3  C   -0.121157  -0.522589   5.914092  -0.137682  -0.028171   0.001171
     4  O   -0.016655   0.175805  -0.137682   8.314912  -0.000420  -0.076459
     5  O    0.068642   0.106989  -0.028171  -0.000420   8.265628  -0.017753
     6  N   -0.126813   0.112377   0.001171  -0.076459  -0.017753   6.717925
     7  O    0.009725  -0.058374   0.390222  -0.098222  -0.002115  -0.009024
     8  H   -0.046127  -0.000595  -0.124197   0.008951  -0.018758  -0.079719
     9  H    0.240143  -0.195101   0.032644  -0.007397  -0.189855  -0.090761
    10  H   -0.029520   0.220737  -0.132409   0.007699  -0.004874   0.025275
    11  H    0.003889  -0.106270  -0.031378   0.267253  -0.001463   0.057536
    12  H   -0.066945  -0.140024   0.044524  -0.004535  -0.002872   0.437406
    13  H    0.014013   0.053158  -0.018274   0.003777   0.003151   0.301022
    14  H    0.026644  -0.046061   0.004522  -0.000124   0.299605  -0.004502
               7          8          9         10         11         12
     1  C    0.009725  -0.046127   0.240143  -0.029520   0.003889  -0.066945
     2  C   -0.058374  -0.000595  -0.195101   0.220737  -0.106270  -0.140024
     3  C    0.390222  -0.124197   0.032644  -0.132409  -0.031378   0.044524
     4  O   -0.098222   0.008951  -0.007397   0.007699   0.267253  -0.004535
     5  O   -0.002115  -0.018758  -0.189855  -0.004874  -0.001463  -0.002872
     6  N   -0.009024  -0.079719  -0.090761   0.025275   0.057536   0.437406
     7  O    8.259029   0.008573   0.012994  -0.007375   0.019905   0.000373
     8  H    0.008573   1.464209   0.104577  -0.064616  -0.005621   0.025779
     9  H    0.012994   0.104577   1.696353  -0.353755  -0.001918   0.013184
    10  H   -0.007375  -0.064616  -0.353755   1.691142   0.000619   0.008493
    11  H    0.019905  -0.005621  -0.001918   0.000619   0.610745  -0.005166
    12  H    0.000373   0.025779   0.013184   0.008493  -0.005166   0.783348
    13  H    0.000790  -0.079424  -0.009581  -0.003296  -0.001079  -0.120180
    14  H    0.000676   0.006802   0.047582  -0.098569  -0.000394  -0.001638
              13         14
     1  C    0.014013   0.026644
     2  C    0.053158  -0.046061
     3  C   -0.018274   0.004522
     4  O    0.003777  -0.000124
     5  O    0.003151   0.299605
     6  N    0.301022  -0.004502
     7  O    0.000790   0.000676
     8  H   -0.079424   0.006802
     9  H   -0.009581   0.047582
    10  H   -0.003296  -0.098569
    11  H   -0.001079  -0.000394
    12  H   -0.120180  -0.001638
    13  H    0.817885   0.002902
    14  H    0.002902   0.660568
 Mulliken charges:
               1
     1  C    1.253027
     2  C    0.107569
     3  C    0.728682
     4  O   -0.436904
     5  O   -0.477734
     6  N   -0.247683
     7  O   -0.527177
     8  H   -0.199836
     9  H   -0.299111
    10  H   -0.259550
    11  H    0.193342
    12  H    0.028252
    13  H    0.035136
    14  H    0.101986
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.694367
     2  C   -0.092267
     3  C    0.728682
     4  O   -0.243563
     5  O   -0.375748
     6  N   -0.184295
     7  O   -0.527177
 Electronic spatial extent (au):  <R**2>=            829.0042
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.2886    Y=              2.3991    Z=             -1.0948  Tot=              4.2154
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.0813   YY=            -42.4392   ZZ=            -37.4106
   XY=             -4.5928   XZ=             -3.3115   YZ=              1.0539
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.4376   YY=              1.2045   ZZ=              6.2331
   XY=             -4.5928   XZ=             -3.3115   YZ=              1.0539
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.2250  YYY=             12.9231  ZZZ=             -0.6715  XYY=             12.2313
  XXY=              2.0017  XXZ=            -13.6506  XZZ=              5.5041  YZZ=              1.6027
  YYZ=              0.2980  XYZ=              2.5161
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -699.8702 YYYY=           -288.3331 ZZZZ=            -62.8925 XXXY=            -22.7196
 XXXZ=            -38.1411 YYYX=             -8.3393 YYYZ=              1.7012 ZZZX=             -4.0494
 ZZZY=              3.2493 XXYY=           -151.0473 XXZZ=           -106.2636 YYZZ=            -54.7321
 XXYZ=              7.8019 YYXZ=             -5.3680 ZZXY=             -0.0044
 N-N= 3.218481284446D+02 E-N=-1.579014306460D+03  KE= 3.965378467877D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:13:25 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.30988813D+00 9.57809582D-01-4.46868773D-01
 Polarizability= 6.00135689D+01 2.98582690D-01 5.90339544D+01
                -1.92291414D+00 6.21864480D-01 4.44474993D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8532    0.8537        0.1186    0.1179
 2     -0.8532   -0.8537       -0.1815   -0.1823       -0.7060   -0.7040
 3     -0.1186   -0.1179        8.6861    8.6831        0.1825    0.1823
 4      0.1815    0.1823        0.0000    0.0000       -0.1174   -0.1179
 5     -7.9801   -7.9791        0.1174    0.1179        0.8550    0.8537
 6     -0.1825   -0.1823       -0.8550   -0.8537       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.5610   -2.5610        0.3537    0.3537
 2      0.5469    0.5469       -0.0000    0.0000        0.3537    0.3537
 3      0.5469    0.5469       -2.5610   -2.5610        0.0000    0.0000
 4     -2.5610   -2.5610       -0.5469   -0.5469       -2.1120   -2.1120
 5     -0.3537   -0.3537       26.0492   26.0492        0.5469    0.5469
 6    -23.9372  -23.9372        0.3537    0.3537        2.5610    2.5610
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1437    0.0000       -3.6220   -3.4147       -1.0719   -0.4716
 2      3.3042    3.4147        0.6098    0.7292        2.3517    2.8160
 3      0.5187    0.4716      -34.6478  -34.7322       -0.5604   -0.7292
 4     -0.9486   -0.7292       -0.0084    0.0000        0.4579    0.4716
 5     31.9379   31.9162       -0.3665   -0.4716       -3.1887   -3.4147
 6      0.6576    0.7292        3.2506    3.4147       -0.0840    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1220    0.0000        3.5489    3.4969        1.6403    1.9064
 2     -3.5810   -3.4969       19.1768   19.0338        0.5458    0.7414
 3     -2.1207   -1.9064        3.2654    3.3203      -19.9827  -19.0338
 4    -19.1378  -19.0338       -0.0170    0.0000       -2.0074   -1.9064
 5     -4.0097   -4.0616        1.7192    1.9064        3.3774    3.4969
 6     19.0701   19.0338       -3.5658   -3.4969        0.2190    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -13.5250  -13.6097        2.0455    2.0461       -2.5606   -2.8496
 2    -40.0036  -40.0006        2.6078    2.5075       -2.9654   -2.8496
 3    -39.9356  -40.0006        2.0686    2.0461       -3.0668   -3.2807
 4     -0.4342   -0.4613       26.5009   26.3908       -4.5207   -4.5096
 5     -0.6833   -0.4311        9.9766    9.9947      -27.6522  -26.3908
 6     -5.5111   -5.4851        0.3589    0.4311       -0.0576    0.4613
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7858   -0.9958    0.0009    0.0010    0.0013    4.8879
 Low frequencies ---   48.6828  113.1570  198.8616
 Diagonal vibrational polarizability:
       51.1625215      74.6268119      46.7365880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     48.6825               113.1569               198.8616
 Red. masses --      3.7194                 2.8194                 5.4418
 Frc consts  --      0.0052                 0.0213                 0.1268
 IR Inten    --      2.8391                10.3696                31.8820
 RamAct Fr= 1--      0.4142                 0.2388                 0.3232
  Dep-P Fr= 1--      0.7432                 0.7414                 0.6916
  Dep-U Fr= 1--      0.8527                 0.8515                 0.8177
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0589                 0.0339                 0.0440
 AlphaG Fr= 1--     -0.0006                -0.0002                 0.0005
 Gamma2 Fr= 1--      0.1616                 0.2985                 0.0260
 Delta2 Fr= 1--      0.1114                 0.0995                -0.0802
 Raman1 Fr= 1--       1.657                  0.955                  1.293
 ROA1   Fr= 1--      19.079                 31.844                 -0.068
 CID1   Fr= 1--      11.514                 33.345                 -0.052
 Raman2 Fr= 1--       0.706                  0.407                  0.529
 ROA2   Fr= 1--       2.987                  6.369                  1.266
 CID2   Fr= 1--       4.229                 15.663                  2.396
 Raman3 Fr= 1--       1.413                  0.813                  1.057
 ROA3   Fr= 1--      19.079                 31.844                 -0.068
 CID3   Fr= 1--      13.503                 39.159                 -0.064
 RC180  Fr= 1--       0.705                  0.703                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.08    -0.01  -0.11  -0.18    -0.15  -0.02  -0.16
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.10    -0.01   0.18  -0.13
     3   6    -0.00  -0.01  -0.02    -0.02  -0.00   0.00     0.07   0.05  -0.02
     4   8     0.06  -0.02   0.28     0.03   0.04   0.04    -0.06  -0.09   0.03
     5   8    -0.01  -0.01   0.12    -0.02   0.16   0.17    -0.01  -0.26   0.15
     6   7     0.00   0.01  -0.19     0.06  -0.08  -0.04    -0.07   0.16  -0.02
     7   8    -0.03  -0.01  -0.21    -0.06   0.01   0.08     0.27   0.01   0.12
     8   1     0.03  -0.15  -0.05    -0.09  -0.01  -0.11    -0.05   0.27  -0.14
     9   1    -0.09   0.17   0.06    -0.19  -0.43  -0.17    -0.29  -0.19  -0.16
    10   1    -0.04   0.02   0.18     0.18  -0.06  -0.49    -0.31   0.05  -0.34
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.20  -0.01   0.03
    12   1     0.37   0.12  -0.32     0.06  -0.14  -0.03     0.05   0.11  -0.05
    13   1    -0.31   0.07  -0.49     0.12  -0.11   0.00    -0.21   0.28  -0.07
    14   1    -0.01  -0.00   0.11     0.16   0.48   0.07    -0.10   0.13  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.1242               258.9252               320.1362
 Red. masses --      1.1289                 1.1841                 4.5336
 Frc consts  --      0.0314                 0.0468                 0.2738
 IR Inten    --     99.8694                28.8532                 9.6779
 RamAct Fr= 1--      0.9394                 0.1466                 0.5259
  Dep-P Fr= 1--      0.7098                 0.5696                 0.3752
  Dep-U Fr= 1--      0.8303                 0.7258                 0.5456
 Alpha2 Fr= 1--      0.0007                 0.0005                 0.0042
 Beta2  Fr= 1--      0.1300                 0.0177                 0.0478
 AlphaG Fr= 1--     -0.0020                 0.0040                -0.0029
 Gamma2 Fr= 1--     -0.5366                 0.1832                 0.0591
 Delta2 Fr= 1--      0.0236                 0.1492                 0.0282
 Raman1 Fr= 1--       3.758                  0.586                  2.103
 ROA1   Fr= 1--     -50.755                 22.364                  6.581
 CID1   Fr= 1--     -13.507                 38.144                  3.129
 Raman2 Fr= 1--       1.560                  0.213                  0.574
 ROA2   Fr= 1--     -13.067                  3.203                  1.194
 CID2   Fr= 1--      -8.377                 15.054                  2.081
 Raman3 Fr= 1--       3.120                  0.426                  1.148
 ROA3   Fr= 1--     -50.755                 22.364                  6.581
 CID3   Fr= 1--     -16.269                 52.555                  5.734
 RC180  Fr= 1--       0.661                  0.452                  0.091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.00   0.02     0.00  -0.00  -0.03    -0.12  -0.04   0.08
     2   6     0.01  -0.01   0.04    -0.01   0.00   0.01    -0.03   0.01   0.08
     3   6    -0.01  -0.01   0.01    -0.01  -0.01   0.01     0.01   0.04   0.02
     4   8    -0.00   0.01  -0.05    -0.00   0.01  -0.06    -0.14  -0.08  -0.02
     5   8     0.03  -0.03   0.01    -0.00   0.03  -0.01    -0.22   0.10  -0.06
     6   7    -0.00  -0.00   0.02     0.00  -0.01   0.08     0.33  -0.01  -0.02
     7   8    -0.03  -0.01   0.00    -0.01  -0.01   0.03     0.17   0.01  -0.04
     8   1    -0.01  -0.03   0.04    -0.02   0.03   0.00    -0.03  -0.09   0.08
     9   1     0.09   0.02   0.02    -0.02  -0.06  -0.03    -0.07  -0.03   0.08
    10   1     0.01  -0.01   0.04     0.01   0.01  -0.07    -0.08  -0.05   0.09
    11   1     0.05  -0.01   0.04     0.08  -0.02   0.14    -0.31  -0.01   0.07
    12   1     0.27   0.03  -0.07     0.58  -0.00  -0.12     0.53  -0.03  -0.08
    13   1    -0.24   0.08  -0.18    -0.49   0.17  -0.33     0.40  -0.24  -0.14
    14   1    -0.35   0.68  -0.45     0.21  -0.34   0.24    -0.26   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    366.3795               433.7003               528.3462
 Red. masses --      4.2161                 2.9260                 5.9745
 Frc consts  --      0.3334                 0.3243                 0.9826
 IR Inten    --      3.0786                 5.9329                 0.9175
 RamAct Fr= 1--      3.4147                 0.7152                 3.2468
  Dep-P Fr= 1--      0.1669                 0.3209                 0.7165
  Dep-U Fr= 1--      0.2861                 0.4859                 0.8348
 Alpha2 Fr= 1--      0.0506                 0.0069                 0.0019
 Beta2  Fr= 1--      0.1628                 0.0579                 0.4518
 AlphaG Fr= 1--      0.0020                -0.0047                -0.0086
 Gamma2 Fr= 1--     -0.1720                -0.2239                 0.0732
 Delta2 Fr= 1--     -0.1050                -0.0774                -0.0159
 Raman1 Fr= 1--      13.659                  2.861                 12.987
 ROA1   Fr= 1--     -19.876                -23.969                  6.519
 CID1   Fr= 1--      -1.455                 -8.379                  0.502
 Raman2 Fr= 1--       1.954                  0.695                  5.421
 ROA2   Fr= 1--      -3.289                 -4.754                  1.883
 CID2   Fr= 1--      -1.683                 -6.840                  0.347
 Raman3 Fr= 1--       3.908                  1.390                 10.842
 ROA3   Fr= 1--     -19.876                -23.969                  6.519
 CID3   Fr= 1--      -5.086                -17.244                  0.601
 RC180  Fr= 1--      -0.428                 -0.028                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16   0.04   0.06    -0.00  -0.17   0.02    -0.09   0.09  -0.06
     2   6     0.00  -0.05  -0.13    -0.00  -0.03   0.21     0.03   0.17   0.09
     3   6     0.08  -0.03  -0.11     0.05   0.03   0.10     0.04  -0.21   0.04
     4   8     0.26   0.08  -0.00     0.08   0.07  -0.03     0.20  -0.13  -0.05
     5   8    -0.22   0.05  -0.04    -0.10   0.03  -0.04    -0.07  -0.01   0.00
     6   7    -0.07  -0.09   0.10    -0.13   0.05  -0.09     0.15   0.28  -0.01
     7   8     0.10  -0.04   0.06     0.10   0.01  -0.07    -0.26  -0.17   0.02
     8   1     0.16   0.03  -0.12    -0.01  -0.12   0.21     0.00   0.24   0.08
     9   1    -0.20   0.30   0.04     0.09  -0.57   0.06    -0.09  -0.15  -0.04
    10   1    -0.15  -0.02   0.30    -0.01  -0.07  -0.36    -0.23   0.16  -0.28
    11   1     0.46  -0.01  -0.01     0.17   0.03  -0.10     0.22  -0.15  -0.14
    12   1    -0.02  -0.28   0.11    -0.23   0.38  -0.10     0.03   0.39   0.02
    13   1    -0.15   0.09   0.17    -0.17  -0.02  -0.19     0.36   0.02  -0.00
    14   1    -0.32   0.09  -0.09    -0.01  -0.05   0.03    -0.06  -0.03   0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    619.7246               734.6493               857.5215
 Red. masses --      3.5959                 7.0976                 1.3971
 Frc consts  --      0.8137                 2.2570                 0.6053
 IR Inten    --      5.5552                10.9788                77.2896
 RamAct Fr= 1--      0.7976                 5.4912                 0.7944
  Dep-P Fr= 1--      0.3813                 0.0639                 0.2015
  Dep-U Fr= 1--      0.5521                 0.1201                 0.3355
 Alpha2 Fr= 1--      0.0063                 0.1049                 0.0107
 Beta2  Fr= 1--      0.0734                 0.1099                 0.0444
 AlphaG Fr= 1--      0.0103                 0.0359                 0.0444
 Gamma2 Fr= 1--      0.4761                -0.2641                -0.2937
 Delta2 Fr= 1--      0.2985                 0.0766                -0.1326
 Raman1 Fr= 1--       3.191                 21.965                  3.177
 ROA1   Fr= 1--      55.259                -22.905                -32.441
 CID1   Fr= 1--      17.319                 -1.043                -10.210
 Raman2 Fr= 1--       0.881                  1.319                  0.533
 ROA2   Fr= 1--       9.038                 -6.952                 -5.989
 CID2   Fr= 1--      10.263                 -5.270                -11.238
 Raman3 Fr= 1--       1.761                  2.639                  1.066
 ROA3   Fr= 1--      55.259                -22.905                -32.441
 CID3   Fr= 1--      31.373                 -8.681                -30.435
 RC180  Fr= 1--       0.104                 -0.760                 -0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.11    -0.04   0.05  -0.08     0.00  -0.02   0.02
     2   6    -0.19  -0.02   0.03     0.12  -0.01  -0.06    -0.08  -0.03   0.01
     3   6    -0.06  -0.05   0.26     0.35   0.10   0.36     0.03   0.02  -0.06
     4   8     0.04   0.13  -0.07     0.05  -0.25  -0.11     0.04  -0.04  -0.04
     5   8     0.06  -0.04   0.04    -0.09  -0.01   0.02     0.02  -0.00  -0.00
     6   7     0.02  -0.05  -0.00    -0.06  -0.13  -0.01    -0.07   0.07  -0.02
     7   8     0.11  -0.10  -0.11    -0.14   0.26  -0.07    -0.00   0.04   0.02
     8   1    -0.64  -0.04  -0.03    -0.30  -0.10  -0.10    -0.09  -0.06   0.01
     9   1    -0.09   0.31  -0.13    -0.17   0.24  -0.10     0.04  -0.05   0.02
    10   1    -0.05   0.11   0.07    -0.10   0.01   0.11     0.03  -0.02   0.00
    11   1     0.29   0.01  -0.01    -0.42  -0.01   0.12     0.07  -0.02   0.79
    12   1     0.06  -0.16   0.00    -0.10  -0.19   0.00     0.22  -0.19  -0.06
    13   1     0.22  -0.26   0.04    -0.18   0.11   0.06     0.34  -0.34   0.08
    14   1     0.09   0.00   0.03    -0.02   0.03   0.03     0.01  -0.00  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    867.3571               884.7048               948.3948
 Red. masses --      2.3885                 1.6905                 1.4784
 Frc consts  --      1.0587                 0.7796                 0.7835
 IR Inten    --     35.4104                57.3580                49.2112
 RamAct Fr= 1--      7.0157                 3.3451                 0.1520
  Dep-P Fr= 1--      0.0839                 0.3081                 0.6034
  Dep-U Fr= 1--      0.1549                 0.4711                 0.7527
 Alpha2 Fr= 1--      0.1277                 0.0335                 0.0004
 Beta2  Fr= 1--      0.1811                 0.2627                 0.0191
 AlphaG Fr= 1--     -0.0832                 0.0599                -0.0024
 Gamma2 Fr= 1--     -0.9866                 0.7015                 0.0316
 Delta2 Fr= 1--     -0.6864                 0.3600                 0.1053
 Raman1 Fr= 1--      28.063                 13.380                  0.608
 ROA1   Fr= 1--    -116.679                 78.868                  6.399
 CID1   Fr= 1--      -4.158                  5.894                 10.525
 Raman2 Fr= 1--       2.173                  3.152                  0.229
 ROA2   Fr= 1--     -18.188                 13.957                 -0.085
 CID2   Fr= 1--      -8.369                  4.428                 -0.372
 Raman3 Fr= 1--       4.347                  6.304                  0.458
 ROA3   Fr= 1--    -116.679                 78.868                  6.399
 CID3   Fr= 1--     -26.844                 12.511                 13.984
 RC180  Fr= 1--      -0.690                 -0.058                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.13   0.02    -0.04   0.13  -0.00     0.01  -0.06  -0.08
     2   6     0.11  -0.01  -0.14     0.08   0.05   0.05    -0.08   0.00   0.08
     3   6    -0.03  -0.04   0.14    -0.02  -0.01  -0.01    -0.00   0.02  -0.08
     4   8    -0.07   0.07  -0.04    -0.03   0.02  -0.02     0.04  -0.04  -0.00
     5   8    -0.06   0.01  -0.00     0.01  -0.01  -0.00    -0.01  -0.00   0.02
     6   7     0.03   0.12  -0.01     0.05  -0.14  -0.05     0.06  -0.04   0.00
     7   8     0.00  -0.07  -0.03     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1     0.01   0.01  -0.15     0.18  -0.04   0.07    -0.25   0.22   0.04
     9   1    -0.01   0.16  -0.01    -0.03  -0.22   0.02     0.05   0.39  -0.11
    10   1     0.13  -0.22   0.30    -0.16   0.23  -0.34     0.04  -0.17   0.36
    11   1     0.20  -0.04   0.58     0.17  -0.05   0.66     0.05  -0.03   0.20
    12   1    -0.23   0.03   0.08    -0.36   0.10   0.04    -0.35   0.47   0.06
    13   1    -0.05   0.45   0.18    -0.14   0.15   0.00    -0.18   0.07  -0.15
    14   1     0.05   0.05   0.02    -0.12  -0.06  -0.02     0.24   0.12   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1025.8044              1074.8673              1125.9706
 Red. masses --      2.7108                 3.1831                 1.3402
 Frc consts  --      1.6807                 2.1667                 1.0011
 IR Inten    --    150.0242                31.9500                 4.4723
 RamAct Fr= 1--      1.8173                 4.0941                 1.7099
  Dep-P Fr= 1--      0.3418                 0.4488                 0.7134
  Dep-U Fr= 1--      0.5094                 0.6196                 0.8327
 Alpha2 Fr= 1--      0.0164                 0.0252                 0.0011
 Beta2  Fr= 1--      0.1543                 0.4228                 0.2373
 AlphaG Fr= 1--      0.0250                -0.0203                 0.0027
 Gamma2 Fr= 1--      0.0393                 0.5930                 0.4738
 Delta2 Fr= 1--      0.3298                 0.4649                -0.2370
 Raman1 Fr= 1--       7.269                 16.376                  6.839
 ROA1   Fr= 1--      14.327                 71.807                 37.897
 CID1   Fr= 1--       1.971                  4.385                  5.541
 Raman2 Fr= 1--       1.852                  5.073                  2.848
 ROA2   Fr= 1--      -1.695                 10.514                 13.266
 CID2   Fr= 1--      -0.915                  2.072                  4.659
 Raman3 Fr= 1--       3.703                 10.146                  5.695
 ROA3   Fr= 1--      14.327                 71.807                 37.897
 CID3   Fr= 1--       3.869                  7.077                  6.654
 RC180  Fr= 1--       0.019                  0.239                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.09   0.16     0.31   0.12   0.02     0.04  -0.03   0.04
     2   6    -0.17   0.05  -0.10    -0.13   0.00  -0.03     0.01   0.09  -0.04
     3   6    -0.04   0.04   0.03    -0.02   0.01  -0.04     0.06  -0.03   0.01
     4   8     0.07  -0.07  -0.02     0.03  -0.03  -0.00    -0.02   0.04   0.00
     5   8     0.16   0.06  -0.04    -0.19  -0.09   0.05     0.00   0.01   0.00
     6   7     0.09   0.00  -0.00     0.05   0.01  -0.01    -0.03  -0.06   0.01
     7   8     0.00   0.04  -0.00     0.00   0.02   0.01    -0.01  -0.03  -0.00
     8   1    -0.32  -0.07  -0.10    -0.37  -0.10  -0.06    -0.09   0.58  -0.09
     9   1    -0.18  -0.34   0.16     0.18  -0.26   0.05    -0.27  -0.04   0.01
    10   1     0.14  -0.05  -0.11     0.51   0.15  -0.25     0.28  -0.07   0.02
    11   1     0.08  -0.07  -0.03     0.01  -0.02  -0.04    -0.08   0.06   0.06
    12   1    -0.27  -0.01   0.09    -0.11  -0.14   0.05     0.04   0.25  -0.05
    13   1    -0.23   0.46   0.06    -0.10   0.28   0.06     0.06  -0.41  -0.18
    14   1    -0.35  -0.20  -0.09    -0.26  -0.15   0.07    -0.38  -0.18  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1141.7743              1217.2927              1247.0755
 Red. masses --      2.2414                 2.2923                 1.7202
 Frc consts  --      1.7216                 2.0013                 1.5762
 IR Inten    --     33.6101                14.6259                 3.0055
 RamAct Fr= 1--      2.4158                 4.7100                 5.3049
  Dep-P Fr= 1--      0.7499                 0.3052                 0.3914
  Dep-U Fr= 1--      0.8570                 0.4676                 0.5626
 Alpha2 Fr= 1--      0.0000                 0.0476                 0.0405
 Beta2  Fr= 1--      0.3451                 0.3671                 0.4974
 AlphaG Fr= 1--      0.0004                 0.0150                 0.0166
 Gamma2 Fr= 1--      0.3639                -1.2950                 2.4164
 Delta2 Fr= 1--     -0.0996                -0.2613                -0.4273
 Raman1 Fr= 1--       9.663                 18.840                 21.220
 ROA1   Fr= 1--      31.747               -132.684                218.304
 CID1   Fr= 1--       3.285                 -7.043                 10.288
 Raman2 Fr= 1--       4.141                  4.405                  5.969
 ROA2   Fr= 1--       9.530                -28.990                 61.412
 CID2   Fr= 1--       2.301                 -6.581                 10.288
 Raman3 Fr= 1--       8.282                  8.810                 11.939
 ROA3   Fr= 1--      31.747               -132.684                218.304
 CID3   Fr= 1--       3.833                -15.061                 18.285
 RC180  Fr= 1--       0.714                 -0.065                  0.125
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.06    -0.03  -0.01  -0.00    -0.01   0.03   0.04
     2   6    -0.05   0.27  -0.00    -0.03  -0.00   0.06    -0.16  -0.05  -0.11
     3   6    -0.00  -0.01   0.02     0.24  -0.08  -0.10     0.10  -0.03   0.06
     4   8     0.02   0.00  -0.01    -0.05   0.12   0.02    -0.01   0.03  -0.01
     5   8    -0.03   0.00  -0.01     0.02   0.01  -0.00    -0.01  -0.02  -0.01
     6   7    -0.02  -0.10  -0.07     0.01   0.02  -0.01     0.03   0.01   0.05
     7   8    -0.02  -0.03  -0.00    -0.03  -0.08   0.01    -0.01  -0.01  -0.01
     8   1    -0.01   0.14   0.01    -0.49  -0.36   0.02     0.63  -0.00  -0.01
     9   1     0.48  -0.02   0.10    -0.06   0.01  -0.01     0.29  -0.12   0.07
    10   1    -0.36  -0.04   0.10    -0.06  -0.01   0.02    -0.02   0.07  -0.10
    11   1     0.00   0.01  -0.02    -0.51   0.32   0.11    -0.21   0.13   0.09
    12   1     0.09  -0.48  -0.06    -0.05  -0.18   0.03    -0.15   0.38   0.05
    13   1     0.01   0.03   0.08    -0.12   0.29   0.07    -0.06  -0.17  -0.17
    14   1     0.43   0.22   0.04    -0.03  -0.03  -0.00     0.31   0.17   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1302.5053              1380.3463              1397.6192
 Red. masses --      1.2873                 1.2487                 1.2944
 Frc consts  --      1.2868                 1.4018                 1.4897
 IR Inten    --      9.3254                22.5151                 4.5204
 RamAct Fr= 1--      2.6171                 1.3696                 4.1339
  Dep-P Fr= 1--      0.7045                 0.7245                 0.7499
  Dep-U Fr= 1--      0.8266                 0.8403                 0.8570
 Alpha2 Fr= 1--      0.0021                 0.0006                 0.0000
 Beta2  Fr= 1--      0.3606                 0.1918                 0.5905
 AlphaG Fr= 1--      0.0033                -0.0060                -0.0002
 Gamma2 Fr= 1--     -0.7648                -1.2028                 1.2840
 Delta2 Fr= 1--     -0.0770                -0.3993                -0.8087
 Raman1 Fr= 1--      10.468                  5.478                 16.536
 ROA1   Fr= 1--     -75.888               -128.246                 97.385
 CID1   Fr= 1--      -7.249                -23.410                  5.889
 Raman2 Fr= 1--       4.327                  2.302                  7.086
 ROA2   Fr= 1--     -17.739                -25.673                 37.286
 CID2   Fr= 1--      -4.100                -11.154                  5.262
 Raman3 Fr= 1--       8.654                  4.603                 14.172
 ROA3   Fr= 1--     -75.888               -128.246                 97.385
 CID3   Fr= 1--      -8.770                -27.860                  6.872
 RC180  Fr= 1--       0.653                  0.681                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.08    -0.07   0.05   0.07    -0.02   0.03   0.01
     2   6    -0.07   0.07   0.07     0.04   0.02   0.01    -0.03  -0.13   0.05
     3   6     0.00  -0.00   0.02     0.00  -0.01  -0.01     0.01  -0.00   0.01
     4   8     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.01   0.01  -0.00
     5   8     0.01  -0.00   0.01    -0.02  -0.05  -0.05     0.00  -0.00  -0.01
     6   7     0.00  -0.01  -0.04    -0.01  -0.01  -0.00     0.01   0.02  -0.06
     7   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.60  -0.14   0.18    -0.15  -0.01  -0.01     0.08   0.83   0.00
     9   1    -0.16   0.16  -0.11    -0.31  -0.15   0.07     0.04  -0.12   0.04
    10   1     0.51  -0.15   0.14     0.62  -0.02  -0.01    -0.07   0.03   0.03
    11   1    -0.10   0.06   0.03     0.07  -0.04  -0.02    -0.14   0.08   0.01
    12   1     0.03  -0.27  -0.01     0.02  -0.01  -0.01     0.04  -0.30  -0.03
    13   1    -0.03   0.17   0.08     0.01  -0.01   0.01    -0.03   0.32   0.13
    14   1    -0.22  -0.12  -0.01     0.58   0.31  -0.02     0.08   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1404.1438              1414.0166              1503.7299
 Red. masses --      1.2334                 1.6221                 1.0844
 Frc consts  --      1.4328                 1.9109                 1.4448
 IR Inten    --     17.2006               405.9445                 3.0156
 RamAct Fr= 1--      1.3370                 3.6390                 3.8998
  Dep-P Fr= 1--      0.4487                 0.3130                 0.7453
  Dep-U Fr= 1--      0.6194                 0.4767                 0.8541
 Alpha2 Fr= 1--      0.0082                 0.0359                 0.0003
 Beta2  Fr= 1--      0.1380                 0.2891                 0.5551
 AlphaG Fr= 1--      0.0126                -0.0332                 0.0012
 Gamma2 Fr= 1--      0.7345                 0.1541                 0.0403
 Delta2 Fr= 1--      0.0181                 0.1587                 0.0420
 Raman1 Fr= 1--       5.348                 14.556                 15.599
 ROA1   Fr= 1--      71.094                 19.876                  5.212
 CID1   Fr= 1--      13.293                  1.366                  0.334
 Raman2 Fr= 1--       1.656                  3.470                  6.662
 ROA2   Fr= 1--      17.484                  2.430                  0.631
 CID2   Fr= 1--      10.555                  0.700                  0.095
 Raman3 Fr= 1--       3.313                  6.940                 13.323
 ROA3   Fr= 1--      71.094                 19.876                  5.212
 CID3   Fr= 1--      21.461                  2.864                  0.391
 RC180  Fr= 1--       0.239                 -0.047                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03  -0.04    -0.00  -0.00  -0.01     0.02   0.06  -0.05
     2   6     0.05  -0.00  -0.02    -0.06  -0.00   0.02    -0.00   0.01  -0.01
     3   6     0.00  -0.01  -0.01     0.15  -0.06  -0.03    -0.00  -0.00   0.00
     4   8    -0.01   0.00   0.00    -0.12   0.01   0.02     0.00  -0.00   0.00
     5   8     0.00   0.00   0.03     0.01   0.00   0.00     0.00   0.01  -0.00
     6   7    -0.01  -0.00   0.00     0.01   0.01  -0.01     0.00  -0.00   0.01
     7   8     0.00   0.00   0.00    -0.01   0.06   0.00     0.00   0.00  -0.00
     8   1    -0.16   0.05  -0.05     0.08   0.07   0.03     0.03  -0.07   0.00
     9   1     0.83  -0.14   0.05     0.01   0.01  -0.01    -0.14  -0.67   0.01
    10   1     0.41  -0.09   0.11    -0.02  -0.01   0.02    -0.17  -0.12   0.69
    11   1     0.02  -0.01  -0.01     0.82  -0.46  -0.18    -0.00   0.00   0.00
    12   1     0.01   0.04  -0.01    -0.01  -0.13   0.01    -0.03   0.01   0.01
    13   1     0.01  -0.03  -0.01     0.01   0.03  -0.00    -0.01  -0.05  -0.04
    14   1    -0.17  -0.11   0.03    -0.04  -0.02  -0.00    -0.01   0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.1986              1834.6990              3030.5293
 Red. masses --      1.0888                 9.7187                 1.0786
 Frc consts  --      1.7831                19.2748                 5.8363
 IR Inten    --     37.1995               313.3596                 2.6443
 RamAct Fr= 1--      3.0450                13.6454               163.6057
  Dep-P Fr= 1--      0.6010                 0.2716                 0.1409
  Dep-U Fr= 1--      0.7508                 0.4271                 0.2469
 Alpha2 Fr= 1--      0.0084                 0.1521                 2.5883
 Beta2  Fr= 1--      0.3810                 0.9714                 6.7333
 AlphaG Fr= 1--      0.0012                 0.1030                -0.3093
 Gamma2 Fr= 1--      0.0103                 0.4920                -0.2249
 Delta2 Fr= 1--     -0.1428                 0.1565                 1.9399
 Raman1 Fr= 1--      12.180                 54.582                654.423
 ROA1   Fr= 1--      -3.580                 52.240                 40.483
 CID1   Fr= 1--      -0.294                  0.957                  0.062
 Raman2 Fr= 1--       4.572                 11.657                 80.800
 ROA2   Fr= 1--       1.389                 10.556                -20.918
 CID2   Fr= 1--       0.304                  0.906                 -0.259
 Raman3 Fr= 1--       9.145                 23.313                161.599
 ROA3   Fr= 1--      -3.580                 52.240                 40.483
 CID3   Fr= 1--      -0.392                  2.241                  0.251
 RC180  Fr= 1--       0.502                 -0.146                 -0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00  -0.01   0.03
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01     0.01  -0.00  -0.07
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.01     0.00  -0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.00     0.00   0.00   0.00
     8   1     0.02  -0.03   0.00     0.01   0.03   0.00    -0.11   0.06   0.86
     9   1     0.00  -0.03  -0.00     0.03  -0.02  -0.01     0.04  -0.04  -0.46
    10   1    -0.01  -0.00   0.03     0.06   0.02   0.02     0.02   0.14   0.04
    11   1     0.02  -0.01  -0.02     0.47  -0.20  -0.11    -0.00   0.00  -0.00
    12   1     0.41   0.54  -0.21    -0.00   0.01   0.00    -0.01  -0.00  -0.02
    13   1     0.24   0.33   0.57     0.02  -0.03   0.01     0.01  -0.00  -0.01
    14   1    -0.00  -0.01   0.00    -0.00   0.00  -0.01    -0.00   0.00   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.1804              3096.5599              3440.3785
 Red. masses --      1.0647                 1.1058                 1.0642
 Frc consts  --      5.8170                 6.2473                 7.4215
 IR Inten    --     27.2891                17.6502               259.9799
 RamAct Fr= 1--     32.9778                45.3539                72.5465
  Dep-P Fr= 1--      0.0676                 0.5256                 0.0861
  Dep-U Fr= 1--      0.1266                 0.6890                 0.1585
 Alpha2 Fr= 1--      0.6246                 0.1977                 1.3140
 Beta2  Fr= 1--      0.6959                 5.2082                 1.9167
 AlphaG Fr= 1--     -0.0900                -0.2038                 0.1901
 Gamma2 Fr= 1--      0.6955                -3.5892                 0.1307
 Delta2 Fr= 1--      1.4787                -2.2307                 1.4189
 Raman1 Fr= 1--     131.911                181.416                290.186
 ROA1   Fr= 1--     114.083               -415.950                 57.950
 CID1   Fr= 1--       0.865                 -2.293                  0.200
 Raman2 Fr= 1--       8.351                 62.499                 23.001
 ROA2   Fr= 1--       4.862                -68.296                 -8.215
 CID2   Fr= 1--       0.582                 -1.093                 -0.357
 Raman3 Fr= 1--      16.702                124.997                 46.001
 ROA3   Fr= 1--     114.083               -415.950                 57.950
 CID3   Fr= 1--       6.830                 -3.328                  1.260
 RC180  Fr= 1--      -0.747                  0.378                 -0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.00  -0.07  -0.06     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.06   0.03   0.46    -0.01   0.01   0.13    -0.00  -0.00  -0.00
     9   1    -0.06   0.07   0.72    -0.04   0.03   0.49     0.00   0.00  -0.00
    10   1    -0.07  -0.48  -0.14     0.11   0.82   0.21     0.00  -0.01  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.90  -0.04
    12   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.03   0.01   0.09
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.05   0.03  -0.05
    14   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3491.7203              3578.6627              3808.9110
 Red. masses --      1.0540                 1.0888                 1.0666
 Frc consts  --      7.5712                 8.2159                 9.1169
 IR Inten    --      0.8370                10.7196                36.4128
 RamAct Fr= 1--     81.4076                56.1841                79.9999
  Dep-P Fr= 1--      0.0880                 0.4889                 0.1805
  Dep-U Fr= 1--      0.1618                 0.6567                 0.3058
 Alpha2 Fr= 1--      1.4675                 0.2920                 1.1435
 Beta2  Fr= 1--      2.1958                 6.1495                 4.0774
 AlphaG Fr= 1--     -0.1254                 0.0792                 0.5432
 Gamma2 Fr= 1--     -2.4355                 1.1667                 2.6727
 Delta2 Fr= 1--     -0.9471                -0.7192                 0.4756
 Raman1 Fr= 1--     325.630                224.737                320.000
 ROA1   Fr= 1--    -264.117                 88.985                271.795
 CID1   Fr= 1--      -0.811                  0.396                  0.849
 Raman2 Fr= 1--      26.350                 73.794                 48.929
 ROA2   Fr= 1--     -50.876                 33.754                 60.340
 CID2   Fr= 1--      -1.931                  0.457                  1.233
 Raman3 Fr= 1--      52.699                147.587                 97.857
 ROA3   Fr= 1--    -264.117                 88.985                271.795
 CID3   Fr= 1--      -5.012                  0.603                  2.777
 RC180  Fr= 1--      -0.676                  0.313                 -0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02  -0.05
     6   7    -0.04  -0.02  -0.04    -0.03  -0.03   0.07     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01   0.01
    11   1    -0.05  -0.10   0.00    -0.01  -0.03   0.00     0.00  -0.00  -0.00
    12   1     0.24   0.10   0.85    -0.14  -0.05  -0.40     0.00   0.00   0.00
    13   1     0.26   0.21  -0.28     0.59   0.44  -0.53    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.29   0.41   0.86

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   393.69852 981.440281309.20589
           X            0.99976  -0.02150  -0.00474
           Y            0.02150   0.99977   0.00021
           Z            0.00474  -0.00031   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22000     0.08825     0.06616
 Rotational constants (GHZ):           4.58407     1.83887     1.37850
 Zero-point vibrational energy     296833.3 (Joules/Mol)
                                   70.94486 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     70.04   162.81   286.12   312.39   372.54
          (Kelvin)            460.60   527.14   624.00   760.17   891.65
                             1057.00  1233.78  1247.93  1272.89  1364.53
                             1475.90  1546.49  1620.02  1642.76  1751.41
                             1794.26  1874.01  1986.01  2010.86  2020.25
                             2034.45  2163.53  2398.73  2639.72  4360.26
                             4381.34  4455.26  4949.94  5023.81  5148.90
                             5480.17
 
 Zero-point correction=                           0.113058 (Hartree/Particle)
 Thermal correction to Energy=                    0.120889
 Thermal correction to Enthalpy=                  0.121833
 Thermal correction to Gibbs Free Energy=         0.080483
 Sum of electronic and zero-point Energies=           -399.038862
 Sum of electronic and thermal Energies=              -399.031031
 Sum of electronic and thermal Enthalpies=            -399.030087
 Sum of electronic and thermal Free Energies=         -399.071437
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.859             27.099             87.029
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.716
 Vibrational             74.081             21.137             19.448
 Vibration     1          0.595              1.978              4.870
 Vibration     2          0.607              1.939              3.214
 Vibration     3          0.637              1.841              2.144
 Vibration     4          0.646              1.815              1.983
 Vibration     5          0.668              1.748              1.669
 Vibration     6          0.706              1.635              1.309
 Vibration     7          0.739              1.541              1.095
 Vibration     8          0.794              1.397              0.847
 Vibration     9          0.883              1.187              0.591
 Vibration    10          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.956338D-37        -37.019388        -85.240292
 Total V=0       0.962845D+15         14.983556         34.500914
 Vib (Bot)       0.887659D-50        -50.051754       -115.248422
 Vib (Bot)    1  0.424689D+01          0.628071          1.446186
 Vib (Bot)    2  0.180875D+01          0.257378          0.592634
 Vib (Bot)    3  0.100312D+01          0.001352          0.003113
 Vib (Bot)    4  0.912107D+00         -0.039954         -0.091998
 Vib (Bot)    5  0.750541D+00         -0.124626         -0.286961
 Vib (Bot)    6  0.587147D+00         -0.231253         -0.532480
 Vib (Bot)    7  0.498137D+00         -0.302651         -0.696880
 Vib (Bot)    8  0.400586D+00         -0.397304         -0.914826
 Vib (Bot)    9  0.303163D+00         -0.518324         -1.193485
 Vib (Bot)   10  0.236045D+00         -0.627005         -1.443732
 Vib (V=0)       0.893698D+02          1.951191          4.492783
 Vib (V=0)    1  0.477622D+01          0.679084          1.563649
 Vib (V=0)    2  0.237658D+01          0.375953          0.865664
 Vib (V=0)    3  0.162082D+01          0.209736          0.482934
 Vib (V=0)    4  0.154016D+01          0.187567          0.431888
 Vib (V=0)    5  0.140184D+01          0.146698          0.337784
 Vib (V=0)    6  0.127119D+01          0.104212          0.239957
 Vib (V=0)    7  0.120579D+01          0.081272          0.187136
 Vib (V=0)    8  0.114068D+01          0.057163          0.131623
 Vib (V=0)    9  0.108473D+01          0.035321          0.081330
 Vib (V=0)   10  0.105292D+01          0.022394          0.051564
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.254603D+06          5.405863         12.447460
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3  3 3          333                                       1     1    11111  1 11 11 11                                  
     8       5  4 4          000                                       8     6    54433  3 22 11 00  9888   7   6  5  4 3 3 221  1   
     0       7  9 4          943                                       3     6    01098  0 41 42 72  4865   3   2  2  3 6 2 519  1 4 
     9       9  2 0          751                                       5     7    44480  3 77 26 56  8578   5   0  8  4 6 0 979  3 9 
 
     X       X  X X          XXX                                       X     X    XXXXX  X XX XX XX  XXXX   X   X  X  X X X XXX  X X 
     X            X                                                    X     X     X          X  XX  XXXX                    XX      
                  X                                                    X           X              X   X X                    X       
                  X                                                    X           X              X     X                    X       
                  X                                                    X           X              X                          X       
                  X                                                    X           X              X                                  
                  X                                                    X           X              X                                  
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                                                                       X           X                                                 
                                                                       X           X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000026942    0.000003862    0.000021427
      2        6          -0.000045838    0.000013748   -0.000034253
      3        6           0.000030767    0.000016217   -0.000001765
      4        8           0.000000747    0.000007010    0.000001110
      5        8          -0.000012304   -0.000029752    0.000015538
      6        7           0.000004648   -0.000016981    0.000010314
      7        8          -0.000004295   -0.000032921   -0.000000275
      8        1           0.000010396   -0.000005835    0.000000750
      9        1          -0.000003924    0.000005373   -0.000000980
     10        1           0.000001209    0.000000431    0.000001253
     11        1          -0.000017386    0.000012429    0.000004674
     12        1           0.000014459    0.000005500   -0.000000056
     13        1          -0.000002209    0.000007324   -0.000003866
     14        1          -0.000003211    0.000013594   -0.000013872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045838 RMS     0.000015502
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.660025D+02  0.235799D+00 -0.170736D+01
      2   0.235799D+00  0.645945D+02  0.364624D+00
      3  -0.170736D+01  0.364624D+00  0.486364D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.113564D+00 -0.187182D+01 -0.167158D+01
      2  -0.345809D-01 -0.484246D+00  0.132888D+02
      3   0.516848D+01  0.574505D+01  0.154656D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.236124D+02 -0.300330D+01 -0.240387D+01
      2  -0.186111D+02  0.349913D+01  0.876832D+00
      3  -0.500132D+01 -0.495833D+00  0.152704D+01
      4   0.437415D+01 -0.106864D+02 -0.146328D+01
      5  -0.328093D+01 -0.388065D+01  0.293142D+02
      6  -0.130068D+01 -0.431313D+00  0.642027D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.517490D+00 -0.192159D+01  0.995091D+00 -0.330543D+01  0.143404D+01
      2  -0.192159D+01  0.245058D+01 -0.299928D+00  0.143404D+01  0.440564D+01
      3   0.995091D+00 -0.299928D+00  0.167621D+01 -0.399724D+00  0.116954D+01
                 6             7             8             9            10 
      1  -0.399724D+00  0.205232D+01 -0.607346D+00  0.991197D+00 -0.352877D-02
      2   0.116954D+01 -0.607346D+00  0.162496D+01 -0.370351D-01  0.303531D+01
      3  -0.394977D+00  0.991197D+00 -0.370351D-01 -0.737897D+01 -0.842530D+00
                11            12            13            14            15 
      1   0.303531D+01 -0.842530D+00  0.262440D+01 -0.334635D+00  0.288173D-01
      2  -0.204015D+01  0.572984D+00 -0.334635D+00 -0.333964D+01 -0.754517D+00
      3   0.572984D+00 -0.691885D+00  0.288173D-01 -0.754517D+00  0.848260D+00
                16            17            18            19            20 
      1  -0.972542D+00  0.109126D+01 -0.116217D+01 -0.218844D+01 -0.186354D+01
      2   0.109126D+01 -0.128490D+01  0.388401D+00 -0.186354D+01  0.161019D+01
      3  -0.116217D+01  0.388401D+00  0.698152D+01 -0.254102D-01  0.144364D+00
                21            22            23            24            25 
      1  -0.254102D-01  0.493478D-01  0.249404D+01  0.274934D+00 -0.901117D+00
      2   0.144364D+00  0.249404D+01  0.626682D+01  0.402231D-01  0.318453D+00
      3  -0.434558D+00  0.274934D+00  0.402231D-01  0.454028D+00 -0.164009D+00
                26            27            28            29            30 
      1   0.318453D+00 -0.164009D+00 -0.828272D+01  0.163320D+01  0.559290D+00
      2   0.564407D+00  0.244005D+00  0.163320D+01 -0.272915D+01 -0.206484D+00
      3   0.244005D+00 -0.379629D+00  0.559290D+00 -0.206484D+00 -0.102891D+01
                31            32            33            34            35 
      1  -0.153554D+01 -0.380437D+01  0.228597D-01  0.161468D+01 -0.191921D+00
      2  -0.380437D+01 -0.825515D+00  0.247307D+00 -0.191921D+00  0.197581D+00
      3   0.228597D-01  0.247307D+00  0.574876D+00 -0.175199D+01  0.120761D+01
                36            37            38            39            40 
      1  -0.175199D+01  0.738181D+01  0.640338D+00  0.108381D+01  0.279645D+01
      2   0.120761D+01  0.640338D+00  0.233333D+00 -0.379259D+00  0.661384D+00
      3   0.915394D+00  0.108381D+01 -0.379259D+00 -0.128863D+01 -0.716005D+00
                41            42            43            44            45 
      1   0.661384D+00 -0.716005D+00  0.254275D+01 -0.496487D+00 -0.770250D+00
      2   0.114121D+01  0.295006D+00 -0.496487D+00  0.863750D+00  0.130083D+01
      3   0.295006D+00  0.176396D+01 -0.770250D+00  0.130083D+01  0.415122D+01
                46            47            48            49            50 
      1  -0.213201D+01 -0.199320D+01  0.105890D+01 -0.113204D+01 -0.172179D+01
      2  -0.199320D+01 -0.164931D+01  0.164871D+00 -0.172179D+01  0.496698D+01
      3   0.105890D+01  0.164871D+00 -0.218276D+01  0.423644D+00  0.694819D+00
                51            52            53            54            55 
      1   0.423644D+00  0.124297D+01  0.448436D+00 -0.223593D+01 -0.215367D+01
      2   0.694819D+00  0.448436D+00  0.732155D+00 -0.980229D+00 -0.319960D+01
      3  -0.776598D+00 -0.223593D+01 -0.980229D+00 -0.381282D+01 -0.749640D-01
                56            57            58            59            60 
      1  -0.319960D+01 -0.749640D-01 -0.439556D+01 -0.279564D+01 -0.698354D-01
      2  -0.279498D+01 -0.241313D+00 -0.279564D+01 -0.130975D+02 -0.125571D+00
      3  -0.241313D+00 -0.316089D+00 -0.698354D-01 -0.125571D+00 -0.244657D+01
                61            62            63            64            65 
      1  -0.191271D-01 -0.567326D-01 -0.109631D+01  0.436914D+00 -0.478614D+00
      2  -0.567326D-01 -0.282937D-01 -0.316274D+01 -0.478614D+00  0.473129D+00
      3  -0.109631D+01 -0.316274D+01 -0.353990D-01 -0.111509D+01 -0.634541D-01
                66            67            68            69            70 
      1  -0.111509D+01 -0.111658D+01  0.363719D+00  0.135128D+00 -0.177533D+01
      2  -0.634541D-01  0.363719D+00  0.452588D+00 -0.105326D+01 -0.167708D+00
      3   0.110888D+01  0.135128D+00 -0.105326D+01 -0.567492D+00  0.900524D+00
                71            72            73            74            75 
      1  -0.167708D+00  0.900524D+00  0.259051D-01  0.251059D+00  0.900610D+00
      2  -0.148940D+01 -0.598018D-01  0.251059D+00 -0.313114D+00  0.934033D-01
      3  -0.598018D-01 -0.831207D+01  0.900610D+00  0.934033D-01 -0.733305D+00
                76            77            78            79            80 
      1   0.896535D+00 -0.126511D+00  0.185241D-02  0.168234D+01 -0.214854D+00
      2  -0.126511D+00 -0.383053D+00  0.960049D+00 -0.214854D+00  0.136803D+01
      3   0.185241D-02  0.960049D+00  0.709281D+00  0.130023D+00 -0.633548D+00
                81            82            83            84            85 
      1   0.130023D+00 -0.702377D+00 -0.888638D+00 -0.372466D+00 -0.149303D+01
      2  -0.633548D+00 -0.888638D+00 -0.436510D+00  0.737001D-01  0.670071D-02
      3   0.841459D+01 -0.372466D+00  0.737001D-01 -0.194210D+00  0.440030D-02
                86            87            88            89            90 
      1   0.670071D-02  0.440030D-02 -0.105241D+01  0.110096D+00 -0.108422D+00
      2  -0.817233D+01 -0.441977D+00  0.110096D+00 -0.130577D+01 -0.107785D+01
      3  -0.441977D+00 -0.111366D+01 -0.108422D+00 -0.107785D+01  0.639392D-01
                91            92            93            94            95 
      1   0.245692D+01  0.203559D+01 -0.344664D+00  0.455358D+01  0.243953D+00
      2   0.203559D+01  0.617602D+00  0.555729D-01  0.243953D+00  0.480269D+01
      3  -0.344664D+00  0.555729D-01 -0.346038D+00 -0.280878D+00  0.133232D+00
                96            97            98            99           100 
      1  -0.280878D+00 -0.511049D+00 -0.167628D+00 -0.548152D+00  0.369161D+00
      2   0.133232D+00 -0.167628D+00 -0.104365D+00  0.593978D+00  0.794164D+00
      3   0.874004D+00 -0.548152D+00  0.593978D+00  0.110868D+00  0.755052D+00
               101           102           103           104           105 
      1   0.794164D+00  0.755052D+00  0.715493D+00  0.381431D+00  0.462637D+00
      2   0.713649D+00  0.740246D+00  0.381431D+00  0.125219D+01  0.750636D+00
      3   0.740246D+00  0.125516D+01  0.462637D+00  0.750636D+00  0.847546D+00
               106           107           108           109           110 
      1   0.178620D+01  0.597357D+00  0.166218D+01  0.281247D+01  0.248649D+01
      2   0.597357D+00  0.247697D+01  0.195206D+01  0.248649D+01  0.311712D+01
      3   0.166218D+01  0.195206D+01  0.581637D+01 -0.114001D+01 -0.101502D+01
               111           112           113           114           115 
      1  -0.114001D+01  0.271426D+01  0.218792D+01 -0.858028D+00 -0.227450D+01
      2  -0.101502D+01  0.218792D+01  0.341803D+01 -0.992197D+00 -0.142724D+01
      3   0.142677D+01 -0.858028D+00 -0.992197D+00  0.112214D+01  0.140655D+01
               116           117           118           119           120 
      1  -0.142724D+01  0.140655D+01  0.249705D+01 -0.530965D+00 -0.143761D+01
      2  -0.223040D+01  0.149390D+01 -0.530965D+00  0.747612D+00  0.360319D+00
      3   0.149390D+01 -0.165804D+01 -0.143761D+01  0.360319D+00  0.174937D+01
               121           122           123           124           125 
      1  -0.137188D+01  0.100976D+01  0.970197D+00 -0.341520D+01  0.764311D+00
      2   0.100976D+01 -0.888153D+00 -0.923289D+00  0.764311D+00 -0.138472D+01
      3   0.970197D+00 -0.923289D+00 -0.189480D+01  0.274677D+01 -0.122957D+01
               126 
      1   0.274677D+01
      2  -0.122957D+01
      3  -0.487698D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.177476D+01  0.275190D+00  0.972072D+00 -0.154422D+01  0.707343D+01
      2   0.163534D+01 -0.104137D+00  0.851448D+00 -0.120034D+01  0.514447D+00
      3   0.221805D+01  0.154655D+01 -0.705697D+00  0.665794D+01 -0.786561D+01
                 6             7             8             9            10 
      1  -0.171051D+01  0.216078D+00  0.207009D+01 -0.565453D+01 -0.127596D+01
      2  -0.605226D+00 -0.321210D+01  0.640843D+00 -0.671390D+01  0.297784D+01
      3  -0.817728D+00 -0.202431D+01 -0.169661D+01 -0.430183D+00  0.115580D+01
                11            12            13            14            15 
      1   0.709156D+00 -0.697301D+00  0.753555D+00  0.242364D+00 -0.399335D+00
      2  -0.880868D+00  0.309131D+01  0.182047D+01 -0.192304D+01  0.113023D+01
      3  -0.558023D+01  0.620848D+00 -0.104566D+01  0.127384D+01  0.830310D+00
                16            17            18            19            20 
      1  -0.119709D+01  0.454445D+01  0.816791D-01  0.772675D+00  0.966732D+00
      2  -0.314395D+01  0.227796D+00  0.113183D+01 -0.535274D+01  0.744568D-01
      3  -0.281688D+00  0.100356D+01  0.644044D+00 -0.597443D+01  0.254701D+00
                21            22            23            24            25 
      1   0.325705D+00  0.166527D+01 -0.368209D+00  0.919380D+01 -0.191912D+00
      2  -0.542625D+01 -0.725647D+00  0.136065D+01 -0.187336D+01 -0.182152D+02
      3  -0.230121D+00  0.415281D+00  0.979240D+01 -0.160437D+01  0.215959D+01
                26            27            28            29            30 
      1   0.972912D+01  0.584141D+00 -0.999441D+00 -0.996959D+00  0.279895D+01
      2  -0.159320D+01  0.383104D+01  0.444544D+00  0.251598D+00  0.764798D+01
      3  -0.221521D+01  0.995878D+00 -0.565330D+01 -0.151617D+02  0.207462D+00
                31            32            33            34            35 
      1  -0.529626D+00 -0.819405D+00 -0.391377D+01  0.752856D+00  0.212206D+01
      2   0.869517D+00 -0.207052D+00 -0.949005D+00  0.524135D+01 -0.925795D+00
      3  -0.112691D+02 -0.884443D+01  0.495010D+00  0.366398D+00  0.214691D+01
                36            37            38            39            40 
      1  -0.670677D+00 -0.244717D+00 -0.210538D+00  0.298977D+00  0.154554D+01
      2  -0.260222D+01  0.169222D+01 -0.174892D+01  0.245277D+01 -0.187156D+01
      3   0.167709D+01 -0.706204D+01 -0.789071D+01  0.186673D+01  0.606399D+00
                41            42            43            44            45 
      1  -0.925020D+00 -0.244065D+01  0.188502D+01  0.136527D+01  0.101964D+01
      2   0.127888D+01  0.574681D+01 -0.723536D+01  0.379541D+01  0.123833D+02
      3  -0.535579D+01 -0.206430D+01  0.169691D+01 -0.266776D+01 -0.468091D+01
                46            47            48            49            50 
      1  -0.229461D+01 -0.121802D+01  0.535382D+01 -0.220563D+01 -0.385045D+01
      2  -0.102760D+00  0.149952D+01  0.356177D+01  0.617673D+00  0.814795D+00
      3  -0.510900D+01 -0.110207D+02  0.142630D+01  0.206742D+01 -0.227624D+01
                51            52            53            54            55 
      1  -0.267928D+01  0.597232D+01  0.726179D+01  0.738640D+01  0.228739D+00
      2  -0.826720D+00 -0.326962D+01 -0.804401D+00  0.261003D+00  0.329512D+00
      3   0.712805D+00  0.300237D+01  0.120352D+01 -0.511321D+01  0.251742D+00
                56            57            58            59            60 
      1   0.916902D-01 -0.294505D+01  0.709770D-02  0.107651D+01 -0.109737D+02
      2   0.213497D+00  0.483226D+01 -0.141863D+01 -0.606279D+00  0.456914D+01
      3  -0.528450D+01 -0.265586D+00  0.963884D+01 -0.181613D+02  0.298287D+00
                61            62            63            64            65 
      1  -0.399623D+00  0.872087D+00  0.181073D+00  0.208538D+00 -0.825045D+00
      2   0.262305D+01  0.446989D+01 -0.103969D+01  0.385080D+00 -0.423068D-01
      3  -0.123791D+01  0.371226D+00 -0.442745D+01  0.226575D+00 -0.751439D+00
                66            67            68            69            70 
      1   0.223109D+00 -0.526943D+00 -0.456339D+00 -0.383299D+00  0.164616D+00
      2   0.955113D+00 -0.307156D+00  0.396774D+00 -0.644903D+00 -0.252644D+01
      3  -0.184425D+00  0.137825D+01 -0.262844D+00  0.201705D+00 -0.800280D-02
                71            72            73            74            75 
      1   0.315206D+01  0.957809D+00  0.942524D+00 -0.510792D+00 -0.234812D+00
      2  -0.142192D+00 -0.136444D+01  0.132639D+01  0.338847D-01 -0.328268D-01
      3   0.405918D+00  0.252522D+00 -0.122811D+00 -0.696651D+00 -0.825729D+00
                76            77            78            79            80 
      1  -0.236324D+00  0.458719D+00 -0.321097D-01  0.381684D-01  0.322153D+01
      2  -0.412994D+00  0.140963D+01  0.751075D+00 -0.384453D+01 -0.531729D+00
      3   0.178351D+00  0.482590D+00 -0.106503D+01 -0.112442D+01 -0.138529D+01
                81            82            83            84            85 
      1   0.664055D+01 -0.113640D+01 -0.310232D-01 -0.337867D+00 -0.894016D-01
      2   0.962503D+01 -0.116689D+00  0.342258D+00  0.521006D+00  0.303410D+00
      3   0.600732D+00  0.306050D+01  0.137490D+01  0.595101D+00  0.523636D+01
                86            87            88            89            90 
      1  -0.420708D+01 -0.398640D+01  0.342407D-01 -0.105831D+01 -0.609680D+00
      2   0.217820D+00 -0.975500D+00 -0.832859D+00 -0.971813D+00  0.118621D+00
      3   0.997575D+01  0.564794D+00  0.170823D+01  0.145781D+01  0.113560D+01
                91            92            93            94            95 
      1   0.110580D+01  0.810903D+00  0.933933D+00  0.764697D+00  0.115706D+01
      2  -0.449484D+00 -0.500126D+00 -0.139310D+01 -0.263103D+00 -0.645434D+00
      3   0.868850D+01  0.948422D+01 -0.495236D+00  0.123810D+02  0.158278D+02
                96            97            98            99           100 
      1  -0.114832D+01  0.801825D+00  0.102447D+01  0.138309D+00 -0.141911D+01
      2  -0.212251D+01 -0.200141D+01 -0.178510D+01  0.125119D+00 -0.574764D+00
      3   0.987088D-01 -0.952936D+00 -0.112625D+01  0.467733D-01  0.762468D+00
               101           102           103           104           105 
      1  -0.755585D+00 -0.311905D+01 -0.667483D+00 -0.178655D+01 -0.234993D+01
      2   0.170654D+00  0.497495D+00  0.254473D-01 -0.115415D+00  0.427859D+00
      3   0.857672D+00  0.102047D+01  0.186550D+01  0.553447D+00  0.779896D+00
               106           107           108           109           110 
      1  -0.416907D+01 -0.206986D+01 -0.121613D+02  0.239388D+01  0.203173D+01
      2  -0.206392D+01  0.616441D+00  0.840224D+00  0.824803D+00 -0.251029D+00
      3   0.370283D+01  0.133856D+00  0.335950D+01  0.644070D+01  0.287914D+01
               111           112           113           114           115 
      1  -0.377633D+01  0.196666D+01  0.189215D+01 -0.269838D+01 -0.311073D+01
      2   0.103388D+01  0.427920D-01  0.900982D-01  0.781577D+00 -0.881497D+00
      3  -0.223778D+01  0.625329D+01  0.297323D+01 -0.175088D+01 -0.545626D+01
               116           117           118           119           120 
      1  -0.181746D+01  0.309468D+01 -0.566738D-01 -0.337441D+00  0.203842D+00
      2   0.361499D+00 -0.813498D+00 -0.387246D+01  0.112304D+01  0.572532D+01
      3  -0.197293D+01  0.260510D+01  0.998700D+00 -0.230955D+01 -0.974862D+00
               121           122           123           124           125 
      1  -0.500273D-01  0.331318D+00 -0.796329D+00 -0.678145D+00  0.188097D+01
      2   0.252013D+01 -0.258588D+01 -0.540947D+01  0.635819D+01 -0.347508D+01
      3  -0.135963D+01  0.200460D+01  0.246575D+01 -0.155080D+01  0.434125D+01
               126 
      1  -0.805625D+00
      2  -0.149274D+02
      3   0.333452D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.204342D+02 -0.683327D+00 -0.101350D+01 -0.861178D+01  0.131113D+02
      2   0.957608D+01 -0.190650D+01 -0.228973D+01  0.376985D+01 -0.176646D+02
      3   0.108581D+02  0.258983D+01  0.330323D+01  0.484193D+01  0.455324D+01
      4  -0.200326D+01 -0.692989D+00 -0.411835D+00  0.804564D+01  0.652946D+01
      5   0.194695D+01 -0.520535D+00 -0.228960D+01 -0.114068D+01  0.220747D+01
      6  -0.411142D+01  0.369469D+01 -0.216591D+01  0.131985D+01 -0.393517D+01
                 6             7             8             9            10 
      1   0.110769D+01  0.642348D+01  0.101776D+01  0.138386D+02 -0.379943D+01
      2  -0.192813D+01 -0.345361D+01 -0.184562D+01  0.333208D+01  0.636144D+01
      3   0.820442D+00 -0.296987D+01  0.827857D+00 -0.171707D+02 -0.256201D+01
      4   0.236872D+01 -0.261662D+01  0.402671D+01 -0.163103D+01  0.796914D+00
      5  -0.151420D+01  0.373459D+01 -0.277222D+00 -0.148809D+02 -0.237123D+00
      6   0.198123D+01 -0.116223D+01  0.433012D+00  0.491843D+01  0.183405D+01
                11            12            13            14            15 
      1   0.213890D+01 -0.120730D+01  0.476809D+00  0.413897D+01  0.135257D+01
      2  -0.187247D+01 -0.228390D+00  0.233608D+00 -0.907016D+01 -0.688608D+00
      3  -0.266436D+00  0.143569D+01 -0.710416D+00  0.493119D+01 -0.663958D+00
      4   0.378849D+01  0.906042D+00 -0.720792D+01  0.123367D+01 -0.796439D+00
      5   0.756557D+00  0.144523D+01 -0.464170D+00 -0.199813D+00  0.160143D+01
      6  -0.220391D+01 -0.916946D-01 -0.249647D+01  0.150866D+00 -0.345958D+01
                16            17            18            19            20 
      1  -0.580133D+01  0.185835D+01  0.541141D+01 -0.485761D+01  0.104139D+02
      2   0.332558D+00 -0.401590D+01  0.110232D+02  0.210326D-01 -0.109718D+02
      3   0.546878D+01  0.215755D+01 -0.164346D+02  0.483657D+01  0.557891D+00
      4  -0.137864D+01 -0.942825D+00  0.140743D+01  0.358985D+01 -0.123903D+02
      5  -0.211751D+01 -0.135417D+00  0.849316D+01  0.188761D+00 -0.186628D+01
      6   0.646554D+00  0.960175D+00  0.825133D+00 -0.692119D+00  0.127647D+00
                21            22            23            24            25 
      1  -0.118866D+01  0.215725D+01  0.613623D+01 -0.126759D+00  0.437790D+00
      2  -0.242555D+01 -0.547900D+01 -0.180953D+02  0.101481D+01 -0.123572D+01
      3   0.361421D+01  0.332175D+01  0.119591D+02 -0.888048D+00  0.797932D+00
      4  -0.118409D+01 -0.234497D+02 -0.233242D+02 -0.317563D-01 -0.475181D+00
      5  -0.707941D+01 -0.244457D+01 -0.128418D+01 -0.192851D+01  0.227506D+01
      6   0.133495D+01 -0.823789D+00 -0.168853D+01 -0.141192D+02 -0.429634D+00
                26            27            28            29            30 
      1  -0.256634D+01 -0.513958D+01  0.423519D+02 -0.778786D+01 -0.109136D+01
      2   0.133239D+01 -0.672547D+01 -0.259509D+02  0.202290D+01  0.201667D+01
      3   0.123395D+01  0.118651D+02 -0.164010D+02  0.576496D+01 -0.925310D+00
      4   0.260726D+01 -0.247992D+01 -0.197649D+02  0.174281D+02  0.139912D+01
      5  -0.177600D+01  0.340083D+01 -0.259837D+01  0.583928D+00  0.144429D+02
      6   0.368826D+01 -0.533682D+00  0.963665D+00 -0.369619D+00 -0.477333D+01
                31            32            33            34            35 
      1   0.464697D+01  0.101236D+02 -0.107670D+01 -0.929352D+00  0.533155D+00
      2  -0.645505D+01 -0.353706D+01  0.293108D+00  0.173867D+01  0.120544D+00
      3   0.180808D+01 -0.658652D+01  0.783588D+00 -0.809321D+00 -0.653699D+00
      4   0.166204D+02 -0.466547D+01 -0.140816D+01  0.147955D+01 -0.176454D+01
      5  -0.498897D+00 -0.146125D+01 -0.355608D+01  0.136153D+02 -0.553692D+01
      6  -0.756971D+00  0.105375D+01  0.815594D+01 -0.204820D+01  0.526896D+01
                36            37            38            39            40 
      1   0.521390D+01  0.486517D+02  0.410023D+01  0.616861D+01  0.154946D+02
      2  -0.781869D+01 -0.250821D+02 -0.235687D+01 -0.275039D+01 -0.945294D+01
      3   0.260480D+01 -0.235696D+02 -0.174336D+01 -0.341822D+01 -0.604163D+01
      4  -0.529706D+01  0.520802D+00  0.115785D+02 -0.395673D+01  0.671727D+01
      5  -0.491535D+01  0.679429D+01 -0.295210D+01  0.380131D+01 -0.426539D+01
      6   0.138414D+01 -0.126298D+01 -0.438683D+00  0.116098D+01  0.178624D+01
                41            42            43            44            45 
      1   0.214944D+01 -0.277472D+01  0.876281D+01 -0.181118D+01 -0.442623D+01
      2   0.339926D+01  0.215571D+01 -0.696445D+01  0.138146D+01  0.100516D+01
      3  -0.554870D+01  0.619009D+00 -0.179837D+01  0.429719D+00  0.342108D+01
      4   0.619351D+01  0.331645D+01 -0.504599D+01  0.451025D+01  0.807396D+01
      5   0.342567D+01  0.986340D+01 -0.935404D+00  0.764215D+01  0.217713D+02
      6  -0.154612D+01  0.107513D+01  0.195621D+01  0.195579D+01 -0.518464D+01
                46            47            48            49            50 
      1   0.134462D+02  0.147449D+01  0.986393D+00  0.230249D+01 -0.174169D+02
      2  -0.124605D+02 -0.491403D+01  0.214175D+01 -0.602359D+01  0.279385D+02
      3  -0.985638D+00  0.343954D+01 -0.312814D+01  0.372109D+01 -0.105216D+02
      4  -0.772398D+01 -0.631840D+01  0.316467D+01  0.407552D+00 -0.607728D+01
      5   0.169798D+01  0.166012D+01  0.267562D+00  0.106895D+01  0.800079D+00
      6   0.478460D+01  0.335999D+01 -0.929263D+01  0.348502D+01  0.459126D+01
                51            52            53            54            55 
      1  -0.687725D+00 -0.100533D+01  0.223515D+00  0.497769D+00  0.106536D+02
      2   0.383350D+01  0.354421D+01  0.441032D+01 -0.867251D+00 -0.136633D+01
      3  -0.314577D+01 -0.253888D+01 -0.463383D+01  0.369483D+00 -0.928731D+01
      4   0.172092D+01  0.409864D+01  0.225976D+01 -0.974929D+01  0.175771D+02
      5  -0.230064D+01  0.935261D+00 -0.393218D+01 -0.352645D+01  0.134845D+01
      6   0.210643D+01 -0.107933D+02 -0.184102D+01 -0.115067D+02  0.754680D+00
                56            57            58            59            60 
      1   0.504518D+01 -0.136580D+00  0.750398D+01 -0.214687D+02 -0.583839D+00
      2   0.337742D+01  0.517577D+00  0.346769D+01  0.423965D+02 -0.241846D-01
      3  -0.842259D+01 -0.380997D+00 -0.109717D+02 -0.209277D+02  0.608023D+00
      4   0.221772D+02  0.833401D+00  0.256027D+02  0.464973D+02  0.120430D+01
      5   0.135661D+01  0.747029D+01  0.147031D+01  0.252078D+01  0.932916D+01
      6   0.771185D+00  0.404709D+01  0.138788D+01  0.172701D+01  0.174556D+02
                61            62            63            64            65 
      1   0.618902D+00 -0.105739D+00 -0.372684D+01  0.112840D+01  0.289574D-01
      2   0.439138D+00 -0.464139D+00  0.287767D+01 -0.401378D+01 -0.459243D-01
      3  -0.105804D+01  0.569877D+00  0.849164D+00  0.288538D+01  0.169669D-01
      4   0.149222D+00 -0.307153D+00  0.110055D+02 -0.356019D+00  0.142120D+01
      5   0.887756D+01  0.111251D+02  0.233202D+00 -0.225018D+01 -0.111033D+00
      6   0.396475D+01  0.139778D+02  0.510432D+00 -0.310325D+00  0.334508D+00
                66            67            68            69            70 
      1  -0.198979D+00 -0.235987D+00 -0.380087D+01 -0.603708D+00  0.119534D+01
      2   0.185307D+01  0.110521D+01  0.592213D+00 -0.109784D+01  0.267390D+01
      3  -0.165409D+01 -0.869221D+00  0.320866D+01  0.170155D+01 -0.386924D+01
      4  -0.372670D+00  0.291547D+01 -0.454133D+00 -0.596297D+00  0.787605D+00
      5   0.685758D+01  0.621602D+00 -0.858412D+00 -0.119551D+01  0.593023D+01
      6   0.246955D+00 -0.255374D+00  0.722359D+00  0.643796D+01 -0.116166D+00
                71            72            73            74            75 
      1   0.782242D+00 -0.165234D+02  0.903590D+00  0.524358D+00  0.396052D+01
      2  -0.867649D+00 -0.160207D+02 -0.336267D+01 -0.187403D+00 -0.647007D+00
      3   0.854073D-01  0.325441D+02  0.245908D+01 -0.336954D+00 -0.331352D+01
      4  -0.419688D+00 -0.760537D+00  0.567856D+00  0.623916D+00 -0.111885D+01
      5   0.318324D-01 -0.718507D+01  0.145403D+01 -0.174502D+00  0.474129D+01
      6   0.453372D+01 -0.183414D+01 -0.728871D+00 -0.775419D+00  0.522104D+00
                76            77            78            79            80 
      1   0.200981D+01 -0.423892D+01 -0.805347D-01  0.524299D+01  0.161821D+01
      2  -0.141812D+01  0.196231D+01 -0.129749D+01 -0.268163D+01 -0.767151D+00
      3  -0.591684D+00  0.227661D+01  0.137803D+01 -0.256136D+01 -0.851057D+00
      4   0.284329D+00 -0.440753D+00  0.244029D+01 -0.207735D+01  0.276453D+01
      5  -0.725110D-01  0.219657D+01  0.172931D+01  0.498977D+01 -0.144921D+01
      6   0.185782D+00 -0.357956D+00  0.485354D+01 -0.194847D+00  0.585241D+01
                81            82            83            84            85 
      1  -0.186902D+02 -0.963058D+00 -0.392987D+01 -0.782618D+00 -0.502938D+01
      2  -0.119633D+02  0.335093D+01  0.294096D+01  0.702354D+00  0.303441D+01
      3   0.306535D+02 -0.238787D+01  0.988911D+00  0.802643D-01  0.199497D+01
      4  -0.591167D-01 -0.145146D+01  0.388807D+01  0.574606D+00  0.528504D+01
      5   0.185224D+02 -0.610266D+00 -0.492346D-01  0.787601D+00 -0.193006D+00
      6  -0.970370D+01  0.724899D+00 -0.312176D+00  0.538778D+00  0.116399D+00
                86            87            88            89            90 
      1  -0.183153D+02 -0.364949D+00 -0.245298D+01 -0.241169D+01 -0.455551D+01
      2   0.310020D+02  0.206269D+01  0.149841D+01  0.395138D+01  0.244818D+01
      3  -0.126866D+02 -0.169774D+01  0.954571D+00 -0.153968D+01  0.210733D+01
      4  -0.173704D+02 -0.907854D+00  0.919600D+00 -0.311310D+01 -0.188402D+01
      5  -0.798348D+00 -0.229382D+01  0.659798D+00 -0.238359D+01  0.123982D+00
      6   0.939354D-01  0.531720D+01  0.296905D+00  0.566822D+01  0.141887D+01
                91            92            93            94            95 
      1  -0.126678D+02 -0.289608D+01  0.438718D+00 -0.132149D+02 -0.673658D+01
      2   0.108072D+02  0.106305D+00 -0.405214D+00  0.733448D+01  0.106873D+02
      3   0.186064D+01  0.278977D+01 -0.335045D-01  0.588045D+01 -0.395076D+01
      4  -0.752482D+00  0.148017D+00 -0.577292D+00  0.728398D+01 -0.160556D+02
      5   0.125336D+01  0.428505D+00 -0.170118D+01  0.122945D+01  0.254692D+00
      6  -0.719549D+00 -0.199200D+00 -0.201840D+01 -0.349165D+00  0.439734D+00
                96            97            98            99           100 
      1   0.454097D+00  0.144896D+01  0.203594D+00 -0.113495D+01 -0.583843D+00
      2  -0.388173D+00 -0.104615D+01 -0.300514D+00  0.326232D+00  0.873239D+00
      3  -0.659241D-01 -0.402811D+00  0.969198D-01  0.808718D+00 -0.289396D+00
      4  -0.651494D+00 -0.386033D+00  0.525461D-01 -0.239533D+01  0.233854D+01
      5  -0.382376D+01  0.222736D+01 -0.228026D+01  0.748779D-01  0.246039D+01
      6   0.165233D+01 -0.131827D+01  0.271853D+01  0.105524D+00  0.262433D+01
               101           102           103           104           105 
      1  -0.110164D+01 -0.805025D+00  0.143821D-01 -0.333250D+01 -0.174288D+01
      2   0.209642D+01  0.427868D+00  0.710187D+00  0.412442D+01  0.237293D+01
      3  -0.994778D+00  0.377157D+00 -0.724569D+00 -0.791916D+00 -0.630047D+00
      4   0.456096D+01  0.285740D+01  0.411518D+01  0.264521D+01  0.255416D+01
      5   0.154539D+01  0.404217D+01  0.745790D+00  0.167318D+01  0.145644D+01
      6   0.310549D+01  0.543146D+01  0.259053D+01  0.331287D+01  0.640942D+01
               106           107           108           109           110 
      1  -0.698431D-01 -0.555176D+01 -0.798077D+01  0.503522D+00 -0.364251D+01
      2  -0.969078D+00  0.478431D+01 -0.216380D+01  0.528037D+01  0.983291D+01
      3   0.103892D+01  0.767447D+00  0.101446D+02 -0.578389D+01 -0.619040D+01
      4   0.539739D+01  0.487697D+01  0.623012D+01  0.121138D+02  0.136855D+02
      5   0.412230D+01  0.317673D+01  0.751158D+01 -0.393064D+01 -0.321831D+01
      6   0.662181D+01  0.923416D+01  0.211221D+02 -0.636906D+01 -0.639220D+01
               111           112           113           114           115 
      1   0.409920D+00 -0.207400D+01 -0.578449D+01  0.161663D+01  0.153895D+01
      2  -0.278950D+01  0.702567D+01  0.130276D+02 -0.415035D+01 -0.316425D+01
      3   0.237958D+01 -0.495167D+01 -0.724316D+01  0.253372D+01  0.162530D+01
      4  -0.543616D+01  0.120876D+02  0.108486D+02 -0.448403D+01 -0.793744D+01
      5   0.434755D+01 -0.158297D+01 -0.287712D+01  0.179012D+01  0.425242D+01
      6   0.672563D+01 -0.521798D+01 -0.671786D+01  0.601554D+01  0.698694D+01
               116           117           118           119           120 
      1   0.372682D+01 -0.314232D+01  0.136705D+02 -0.337037D+01 -0.781663D+01
      2  -0.606021D+01  0.246851D+01 -0.803575D+01  0.172092D+01  0.501472D+01
      3   0.233338D+01  0.673813D+00 -0.563475D+01  0.164945D+01  0.280190D+01
      4  -0.698642D+01  0.642093D+01 -0.521698D+01  0.469627D+01  0.368701D+01
      5   0.350623D+01 -0.383021D+01 -0.922499D+01  0.292551D+01  0.115031D+02
      6   0.869985D+01 -0.761108D+01  0.250810D+01 -0.702307D+00 -0.166599D+01
               121           122           123           124           125 
      1  -0.559738D+01  0.237178D+01  0.326775D+01 -0.142721D+02  0.223998D+01
      2   0.246200D+01 -0.637027D+00 -0.167181D+01  0.104262D+02 -0.190231D+01
      3   0.313538D+01 -0.173475D+01 -0.159594D+01  0.384590D+01 -0.337669D+00
      4   0.729501D+01 -0.532421D+01 -0.643616D+01  0.708525D+01 -0.756429D+01
      5   0.552609D+01 -0.559932D+01 -0.915734D+01  0.174358D+02 -0.747541D+01
      6  -0.267932D+01  0.251848D+01  0.475488D+01 -0.417474D+01  0.344469D+01
               126 
      1   0.793383D+01
      2  -0.103461D+02
      3   0.241227D+01
      4  -0.888162D+01
      5  -0.275008D+02
      6   0.645394D+01
 Leave Link  716 at Thu Aug 12 22:13:25 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.660025D+02  0.235799D+00 -0.170736D+01
      2   0.235799D+00  0.645945D+02  0.364624D+00
      3  -0.170736D+01  0.364624D+00  0.486364D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.113564D+00 -0.187182D+01 -0.167158D+01
      2  -0.345809D-01 -0.484246D+00  0.132888D+02
      3   0.516848D+01  0.574505D+01  0.154656D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.236124D+02 -0.300330D+01 -0.240387D+01
      2  -0.186111D+02  0.349913D+01  0.876832D+00
      3  -0.500132D+01 -0.495833D+00  0.152704D+01
      4   0.437415D+01 -0.106864D+02 -0.146328D+01
      5  -0.328093D+01 -0.388065D+01  0.293142D+02
      6  -0.130068D+01 -0.431313D+00  0.642027D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.517490D+00 -0.192159D+01  0.995091D+00 -0.330543D+01  0.143404D+01
      2  -0.192159D+01  0.245058D+01 -0.299928D+00  0.143404D+01  0.440564D+01
      3   0.995091D+00 -0.299928D+00  0.167621D+01 -0.399724D+00  0.116954D+01
                 6             7             8             9            10 
      1  -0.399724D+00  0.205232D+01 -0.607346D+00  0.991197D+00 -0.352877D-02
      2   0.116954D+01 -0.607346D+00  0.162496D+01 -0.370351D-01  0.303531D+01
      3  -0.394977D+00  0.991197D+00 -0.370351D-01 -0.737897D+01 -0.842530D+00
                11            12            13            14            15 
      1   0.303531D+01 -0.842530D+00  0.262440D+01 -0.334635D+00  0.288173D-01
      2  -0.204015D+01  0.572984D+00 -0.334635D+00 -0.333964D+01 -0.754517D+00
      3   0.572984D+00 -0.691885D+00  0.288173D-01 -0.754517D+00  0.848260D+00
                16            17            18            19            20 
      1  -0.972542D+00  0.109126D+01 -0.116217D+01 -0.218844D+01 -0.186354D+01
      2   0.109126D+01 -0.128490D+01  0.388401D+00 -0.186354D+01  0.161019D+01
      3  -0.116217D+01  0.388401D+00  0.698152D+01 -0.254102D-01  0.144364D+00
                21            22            23            24            25 
      1  -0.254102D-01  0.493478D-01  0.249404D+01  0.274934D+00 -0.901117D+00
      2   0.144364D+00  0.249404D+01  0.626682D+01  0.402231D-01  0.318453D+00
      3  -0.434558D+00  0.274934D+00  0.402231D-01  0.454028D+00 -0.164009D+00
                26            27            28            29            30 
      1   0.318453D+00 -0.164009D+00 -0.828272D+01  0.163320D+01  0.559290D+00
      2   0.564407D+00  0.244005D+00  0.163320D+01 -0.272915D+01 -0.206484D+00
      3   0.244005D+00 -0.379629D+00  0.559290D+00 -0.206484D+00 -0.102891D+01
                31            32            33            34            35 
      1  -0.153554D+01 -0.380437D+01  0.228597D-01  0.161468D+01 -0.191921D+00
      2  -0.380437D+01 -0.825515D+00  0.247307D+00 -0.191921D+00  0.197581D+00
      3   0.228597D-01  0.247307D+00  0.574876D+00 -0.175199D+01  0.120761D+01
                36            37            38            39            40 
      1  -0.175199D+01  0.738181D+01  0.640338D+00  0.108381D+01  0.279645D+01
      2   0.120761D+01  0.640338D+00  0.233333D+00 -0.379259D+00  0.661384D+00
      3   0.915394D+00  0.108381D+01 -0.379259D+00 -0.128863D+01 -0.716005D+00
                41            42            43            44            45 
      1   0.661384D+00 -0.716005D+00  0.254275D+01 -0.496487D+00 -0.770250D+00
      2   0.114121D+01  0.295006D+00 -0.496487D+00  0.863750D+00  0.130083D+01
      3   0.295006D+00  0.176396D+01 -0.770250D+00  0.130083D+01  0.415122D+01
                46            47            48            49            50 
      1  -0.213201D+01 -0.199320D+01  0.105890D+01 -0.113204D+01 -0.172179D+01
      2  -0.199320D+01 -0.164931D+01  0.164871D+00 -0.172179D+01  0.496698D+01
      3   0.105890D+01  0.164871D+00 -0.218276D+01  0.423644D+00  0.694819D+00
                51            52            53            54            55 
      1   0.423644D+00  0.124297D+01  0.448436D+00 -0.223593D+01 -0.215367D+01
      2   0.694819D+00  0.448436D+00  0.732155D+00 -0.980229D+00 -0.319960D+01
      3  -0.776598D+00 -0.223593D+01 -0.980229D+00 -0.381282D+01 -0.749640D-01
                56            57            58            59            60 
      1  -0.319960D+01 -0.749640D-01 -0.439556D+01 -0.279564D+01 -0.698354D-01
      2  -0.279498D+01 -0.241313D+00 -0.279564D+01 -0.130975D+02 -0.125571D+00
      3  -0.241313D+00 -0.316089D+00 -0.698354D-01 -0.125571D+00 -0.244657D+01
                61            62            63            64            65 
      1  -0.191271D-01 -0.567326D-01 -0.109631D+01  0.436914D+00 -0.478614D+00
      2  -0.567326D-01 -0.282937D-01 -0.316274D+01 -0.478614D+00  0.473129D+00
      3  -0.109631D+01 -0.316274D+01 -0.353990D-01 -0.111509D+01 -0.634541D-01
                66            67            68            69            70 
      1  -0.111509D+01 -0.111658D+01  0.363719D+00  0.135128D+00 -0.177533D+01
      2  -0.634541D-01  0.363719D+00  0.452588D+00 -0.105326D+01 -0.167708D+00
      3   0.110888D+01  0.135128D+00 -0.105326D+01 -0.567492D+00  0.900524D+00
                71            72            73            74            75 
      1  -0.167708D+00  0.900524D+00  0.259051D-01  0.251059D+00  0.900610D+00
      2  -0.148940D+01 -0.598018D-01  0.251059D+00 -0.313114D+00  0.934033D-01
      3  -0.598018D-01 -0.831207D+01  0.900610D+00  0.934033D-01 -0.733305D+00
                76            77            78            79            80 
      1   0.896535D+00 -0.126511D+00  0.185241D-02  0.168234D+01 -0.214854D+00
      2  -0.126511D+00 -0.383053D+00  0.960049D+00 -0.214854D+00  0.136803D+01
      3   0.185241D-02  0.960049D+00  0.709281D+00  0.130023D+00 -0.633548D+00
                81            82            83            84            85 
      1   0.130023D+00 -0.702377D+00 -0.888638D+00 -0.372466D+00 -0.149303D+01
      2  -0.633548D+00 -0.888638D+00 -0.436510D+00  0.737001D-01  0.670071D-02
      3   0.841459D+01 -0.372466D+00  0.737001D-01 -0.194210D+00  0.440030D-02
                86            87            88            89            90 
      1   0.670071D-02  0.440030D-02 -0.105241D+01  0.110096D+00 -0.108422D+00
      2  -0.817233D+01 -0.441977D+00  0.110096D+00 -0.130577D+01 -0.107785D+01
      3  -0.441977D+00 -0.111366D+01 -0.108422D+00 -0.107785D+01  0.639392D-01
                91            92            93            94            95 
      1   0.245692D+01  0.203559D+01 -0.344664D+00  0.455358D+01  0.243953D+00
      2   0.203559D+01  0.617602D+00  0.555729D-01  0.243953D+00  0.480269D+01
      3  -0.344664D+00  0.555729D-01 -0.346038D+00 -0.280878D+00  0.133232D+00
                96            97            98            99           100 
      1  -0.280878D+00 -0.511049D+00 -0.167628D+00 -0.548152D+00  0.369161D+00
      2   0.133232D+00 -0.167628D+00 -0.104365D+00  0.593978D+00  0.794164D+00
      3   0.874004D+00 -0.548152D+00  0.593978D+00  0.110868D+00  0.755052D+00
               101           102           103           104           105 
      1   0.794164D+00  0.755052D+00  0.715493D+00  0.381431D+00  0.462637D+00
      2   0.713649D+00  0.740246D+00  0.381431D+00  0.125219D+01  0.750636D+00
      3   0.740246D+00  0.125516D+01  0.462637D+00  0.750636D+00  0.847546D+00
               106           107           108           109           110 
      1   0.178620D+01  0.597357D+00  0.166218D+01  0.281247D+01  0.248649D+01
      2   0.597357D+00  0.247697D+01  0.195206D+01  0.248649D+01  0.311712D+01
      3   0.166218D+01  0.195206D+01  0.581637D+01 -0.114001D+01 -0.101502D+01
               111           112           113           114           115 
      1  -0.114001D+01  0.271426D+01  0.218792D+01 -0.858028D+00 -0.227450D+01
      2  -0.101502D+01  0.218792D+01  0.341803D+01 -0.992197D+00 -0.142724D+01
      3   0.142677D+01 -0.858028D+00 -0.992197D+00  0.112214D+01  0.140655D+01
               116           117           118           119           120 
      1  -0.142724D+01  0.140655D+01  0.249705D+01 -0.530965D+00 -0.143761D+01
      2  -0.223040D+01  0.149390D+01 -0.530965D+00  0.747612D+00  0.360319D+00
      3   0.149390D+01 -0.165804D+01 -0.143761D+01  0.360319D+00  0.174937D+01
               121           122           123           124           125 
      1  -0.137188D+01  0.100976D+01  0.970197D+00 -0.341520D+01  0.764311D+00
      2   0.100976D+01 -0.888153D+00 -0.923289D+00  0.764311D+00 -0.138472D+01
      3   0.970197D+00 -0.923289D+00 -0.189480D+01  0.274677D+01 -0.122957D+01
               126 
      1   0.274677D+01
      2  -0.122957D+01
      3  -0.487698D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.177476D+01  0.275190D+00  0.972072D+00 -0.154422D+01  0.707343D+01
      2   0.163534D+01 -0.104137D+00  0.851448D+00 -0.120034D+01  0.514447D+00
      3   0.221805D+01  0.154655D+01 -0.705697D+00  0.665794D+01 -0.786561D+01
                 6             7             8             9            10 
      1  -0.171051D+01  0.216078D+00  0.207009D+01 -0.565453D+01 -0.127596D+01
      2  -0.605226D+00 -0.321210D+01  0.640843D+00 -0.671390D+01  0.297784D+01
      3  -0.817728D+00 -0.202431D+01 -0.169661D+01 -0.430183D+00  0.115580D+01
                11            12            13            14            15 
      1   0.709156D+00 -0.697301D+00  0.753555D+00  0.242364D+00 -0.399335D+00
      2  -0.880868D+00  0.309131D+01  0.182047D+01 -0.192304D+01  0.113023D+01
      3  -0.558023D+01  0.620848D+00 -0.104566D+01  0.127384D+01  0.830310D+00
                16            17            18            19            20 
      1  -0.119709D+01  0.454445D+01  0.816791D-01  0.772675D+00  0.966732D+00
      2  -0.314395D+01  0.227796D+00  0.113183D+01 -0.535274D+01  0.744568D-01
      3  -0.281688D+00  0.100356D+01  0.644044D+00 -0.597443D+01  0.254701D+00
                21            22            23            24            25 
      1   0.325705D+00  0.166527D+01 -0.368209D+00  0.919380D+01 -0.191912D+00
      2  -0.542625D+01 -0.725647D+00  0.136065D+01 -0.187336D+01 -0.182152D+02
      3  -0.230121D+00  0.415281D+00  0.979240D+01 -0.160437D+01  0.215959D+01
                26            27            28            29            30 
      1   0.972912D+01  0.584141D+00 -0.999441D+00 -0.996959D+00  0.279895D+01
      2  -0.159320D+01  0.383104D+01  0.444544D+00  0.251598D+00  0.764798D+01
      3  -0.221521D+01  0.995878D+00 -0.565330D+01 -0.151617D+02  0.207462D+00
                31            32            33            34            35 
      1  -0.529626D+00 -0.819405D+00 -0.391377D+01  0.752856D+00  0.212206D+01
      2   0.869517D+00 -0.207052D+00 -0.949005D+00  0.524135D+01 -0.925795D+00
      3  -0.112691D+02 -0.884443D+01  0.495010D+00  0.366398D+00  0.214691D+01
                36            37            38            39            40 
      1  -0.670677D+00 -0.244717D+00 -0.210538D+00  0.298977D+00  0.154554D+01
      2  -0.260222D+01  0.169222D+01 -0.174892D+01  0.245277D+01 -0.187156D+01
      3   0.167709D+01 -0.706204D+01 -0.789071D+01  0.186673D+01  0.606399D+00
                41            42            43            44            45 
      1  -0.925020D+00 -0.244065D+01  0.188502D+01  0.136527D+01  0.101964D+01
      2   0.127888D+01  0.574681D+01 -0.723536D+01  0.379541D+01  0.123833D+02
      3  -0.535579D+01 -0.206430D+01  0.169691D+01 -0.266776D+01 -0.468091D+01
                46            47            48            49            50 
      1  -0.229461D+01 -0.121802D+01  0.535382D+01 -0.220563D+01 -0.385045D+01
      2  -0.102760D+00  0.149952D+01  0.356177D+01  0.617673D+00  0.814795D+00
      3  -0.510900D+01 -0.110207D+02  0.142630D+01  0.206742D+01 -0.227624D+01
                51            52            53            54            55 
      1  -0.267928D+01  0.597232D+01  0.726179D+01  0.738640D+01  0.228739D+00
      2  -0.826720D+00 -0.326962D+01 -0.804401D+00  0.261003D+00  0.329512D+00
      3   0.712805D+00  0.300237D+01  0.120352D+01 -0.511321D+01  0.251742D+00
                56            57            58            59            60 
      1   0.916902D-01 -0.294505D+01  0.709770D-02  0.107651D+01 -0.109737D+02
      2   0.213497D+00  0.483226D+01 -0.141863D+01 -0.606279D+00  0.456914D+01
      3  -0.528450D+01 -0.265586D+00  0.963884D+01 -0.181613D+02  0.298287D+00
                61            62            63            64            65 
      1  -0.399623D+00  0.872087D+00  0.181073D+00  0.208538D+00 -0.825045D+00
      2   0.262305D+01  0.446989D+01 -0.103969D+01  0.385080D+00 -0.423068D-01
      3  -0.123791D+01  0.371226D+00 -0.442745D+01  0.226575D+00 -0.751439D+00
                66            67            68            69            70 
      1   0.223109D+00 -0.526943D+00 -0.456339D+00 -0.383299D+00  0.164616D+00
      2   0.955113D+00 -0.307156D+00  0.396774D+00 -0.644903D+00 -0.252644D+01
      3  -0.184425D+00  0.137825D+01 -0.262844D+00  0.201705D+00 -0.800280D-02
                71            72            73            74            75 
      1   0.315206D+01  0.957809D+00  0.942524D+00 -0.510792D+00 -0.234812D+00
      2  -0.142192D+00 -0.136444D+01  0.132639D+01  0.338847D-01 -0.328268D-01
      3   0.405918D+00  0.252522D+00 -0.122811D+00 -0.696651D+00 -0.825729D+00
                76            77            78            79            80 
      1  -0.236324D+00  0.458719D+00 -0.321097D-01  0.381684D-01  0.322153D+01
      2  -0.412994D+00  0.140963D+01  0.751075D+00 -0.384453D+01 -0.531729D+00
      3   0.178351D+00  0.482590D+00 -0.106503D+01 -0.112442D+01 -0.138529D+01
                81            82            83            84            85 
      1   0.664055D+01 -0.113640D+01 -0.310232D-01 -0.337867D+00 -0.894016D-01
      2   0.962503D+01 -0.116689D+00  0.342258D+00  0.521006D+00  0.303410D+00
      3   0.600732D+00  0.306050D+01  0.137490D+01  0.595101D+00  0.523636D+01
                86            87            88            89            90 
      1  -0.420708D+01 -0.398640D+01  0.342407D-01 -0.105831D+01 -0.609680D+00
      2   0.217820D+00 -0.975500D+00 -0.832859D+00 -0.971813D+00  0.118621D+00
      3   0.997575D+01  0.564794D+00  0.170823D+01  0.145781D+01  0.113560D+01
                91            92            93            94            95 
      1   0.110580D+01  0.810903D+00  0.933933D+00  0.764697D+00  0.115706D+01
      2  -0.449484D+00 -0.500126D+00 -0.139310D+01 -0.263103D+00 -0.645434D+00
      3   0.868850D+01  0.948422D+01 -0.495236D+00  0.123810D+02  0.158278D+02
                96            97            98            99           100 
      1  -0.114832D+01  0.801825D+00  0.102447D+01  0.138309D+00 -0.141911D+01
      2  -0.212251D+01 -0.200141D+01 -0.178510D+01  0.125119D+00 -0.574764D+00
      3   0.987088D-01 -0.952936D+00 -0.112625D+01  0.467733D-01  0.762468D+00
               101           102           103           104           105 
      1  -0.755585D+00 -0.311905D+01 -0.667483D+00 -0.178655D+01 -0.234993D+01
      2   0.170654D+00  0.497495D+00  0.254473D-01 -0.115415D+00  0.427859D+00
      3   0.857672D+00  0.102047D+01  0.186550D+01  0.553447D+00  0.779896D+00
               106           107           108           109           110 
      1  -0.416907D+01 -0.206986D+01 -0.121613D+02  0.239388D+01  0.203173D+01
      2  -0.206392D+01  0.616441D+00  0.840224D+00  0.824803D+00 -0.251029D+00
      3   0.370283D+01  0.133856D+00  0.335950D+01  0.644070D+01  0.287914D+01
               111           112           113           114           115 
      1  -0.377633D+01  0.196666D+01  0.189215D+01 -0.269838D+01 -0.311073D+01
      2   0.103388D+01  0.427920D-01  0.900982D-01  0.781577D+00 -0.881497D+00
      3  -0.223778D+01  0.625329D+01  0.297323D+01 -0.175088D+01 -0.545626D+01
               116           117           118           119           120 
      1  -0.181746D+01  0.309468D+01 -0.566738D-01 -0.337441D+00  0.203842D+00
      2   0.361499D+00 -0.813498D+00 -0.387246D+01  0.112304D+01  0.572532D+01
      3  -0.197293D+01  0.260510D+01  0.998700D+00 -0.230955D+01 -0.974862D+00
               121           122           123           124           125 
      1  -0.500273D-01  0.331318D+00 -0.796329D+00 -0.678145D+00  0.188097D+01
      2   0.252013D+01 -0.258588D+01 -0.540947D+01  0.635819D+01 -0.347508D+01
      3  -0.135963D+01  0.200460D+01  0.246575D+01 -0.155080D+01  0.434125D+01
               126 
      1  -0.805625D+00
      2  -0.149274D+02
      3   0.333452D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.204342D+02 -0.683327D+00 -0.101350D+01 -0.861178D+01  0.131113D+02
      2   0.957608D+01 -0.190650D+01 -0.228973D+01  0.376985D+01 -0.176646D+02
      3   0.108581D+02  0.258983D+01  0.330323D+01  0.484193D+01  0.455324D+01
      4  -0.200326D+01 -0.692989D+00 -0.411835D+00  0.804564D+01  0.652946D+01
      5   0.194695D+01 -0.520535D+00 -0.228960D+01 -0.114068D+01  0.220747D+01
      6  -0.411142D+01  0.369469D+01 -0.216591D+01  0.131985D+01 -0.393517D+01
                 6             7             8             9            10 
      1   0.110769D+01  0.642348D+01  0.101776D+01  0.138386D+02 -0.379943D+01
      2  -0.192813D+01 -0.345361D+01 -0.184562D+01  0.333208D+01  0.636144D+01
      3   0.820442D+00 -0.296987D+01  0.827857D+00 -0.171707D+02 -0.256201D+01
      4   0.236872D+01 -0.261662D+01  0.402671D+01 -0.163103D+01  0.796914D+00
      5  -0.151420D+01  0.373459D+01 -0.277222D+00 -0.148809D+02 -0.237123D+00
      6   0.198123D+01 -0.116223D+01  0.433012D+00  0.491843D+01  0.183405D+01
                11            12            13            14            15 
      1   0.213890D+01 -0.120730D+01  0.476809D+00  0.413897D+01  0.135257D+01
      2  -0.187247D+01 -0.228390D+00  0.233608D+00 -0.907016D+01 -0.688608D+00
      3  -0.266436D+00  0.143569D+01 -0.710416D+00  0.493119D+01 -0.663958D+00
      4   0.378849D+01  0.906042D+00 -0.720792D+01  0.123367D+01 -0.796439D+00
      5   0.756557D+00  0.144523D+01 -0.464170D+00 -0.199813D+00  0.160143D+01
      6  -0.220391D+01 -0.916946D-01 -0.249647D+01  0.150866D+00 -0.345958D+01
                16            17            18            19            20 
      1  -0.580133D+01  0.185835D+01  0.541141D+01 -0.485761D+01  0.104139D+02
      2   0.332558D+00 -0.401590D+01  0.110232D+02  0.210326D-01 -0.109718D+02
      3   0.546878D+01  0.215755D+01 -0.164346D+02  0.483657D+01  0.557891D+00
      4  -0.137864D+01 -0.942825D+00  0.140743D+01  0.358985D+01 -0.123903D+02
      5  -0.211751D+01 -0.135417D+00  0.849316D+01  0.188761D+00 -0.186628D+01
      6   0.646554D+00  0.960175D+00  0.825133D+00 -0.692119D+00  0.127647D+00
                21            22            23            24            25 
      1  -0.118866D+01  0.215725D+01  0.613623D+01 -0.126759D+00  0.437790D+00
      2  -0.242555D+01 -0.547900D+01 -0.180953D+02  0.101481D+01 -0.123572D+01
      3   0.361421D+01  0.332175D+01  0.119591D+02 -0.888048D+00  0.797932D+00
      4  -0.118409D+01 -0.234497D+02 -0.233242D+02 -0.317563D-01 -0.475181D+00
      5  -0.707941D+01 -0.244457D+01 -0.128418D+01 -0.192851D+01  0.227506D+01
      6   0.133495D+01 -0.823789D+00 -0.168853D+01 -0.141192D+02 -0.429634D+00
                26            27            28            29            30 
      1  -0.256634D+01 -0.513958D+01  0.423519D+02 -0.778786D+01 -0.109136D+01
      2   0.133239D+01 -0.672547D+01 -0.259509D+02  0.202290D+01  0.201667D+01
      3   0.123395D+01  0.118651D+02 -0.164010D+02  0.576496D+01 -0.925310D+00
      4   0.260726D+01 -0.247992D+01 -0.197649D+02  0.174281D+02  0.139912D+01
      5  -0.177600D+01  0.340083D+01 -0.259837D+01  0.583928D+00  0.144429D+02
      6   0.368826D+01 -0.533682D+00  0.963665D+00 -0.369619D+00 -0.477333D+01
                31            32            33            34            35 
      1   0.464697D+01  0.101236D+02 -0.107670D+01 -0.929352D+00  0.533155D+00
      2  -0.645505D+01 -0.353706D+01  0.293108D+00  0.173867D+01  0.120544D+00
      3   0.180808D+01 -0.658652D+01  0.783588D+00 -0.809321D+00 -0.653699D+00
      4   0.166204D+02 -0.466547D+01 -0.140816D+01  0.147955D+01 -0.176454D+01
      5  -0.498897D+00 -0.146125D+01 -0.355608D+01  0.136153D+02 -0.553692D+01
      6  -0.756971D+00  0.105375D+01  0.815594D+01 -0.204820D+01  0.526896D+01
                36            37            38            39            40 
      1   0.521390D+01  0.486517D+02  0.410023D+01  0.616861D+01  0.154946D+02
      2  -0.781869D+01 -0.250821D+02 -0.235687D+01 -0.275039D+01 -0.945294D+01
      3   0.260480D+01 -0.235696D+02 -0.174336D+01 -0.341822D+01 -0.604163D+01
      4  -0.529706D+01  0.520802D+00  0.115785D+02 -0.395673D+01  0.671727D+01
      5  -0.491535D+01  0.679429D+01 -0.295210D+01  0.380131D+01 -0.426539D+01
      6   0.138414D+01 -0.126298D+01 -0.438683D+00  0.116098D+01  0.178624D+01
                41            42            43            44            45 
      1   0.214944D+01 -0.277472D+01  0.876281D+01 -0.181118D+01 -0.442623D+01
      2   0.339926D+01  0.215571D+01 -0.696445D+01  0.138146D+01  0.100516D+01
      3  -0.554870D+01  0.619009D+00 -0.179837D+01  0.429719D+00  0.342108D+01
      4   0.619351D+01  0.331645D+01 -0.504599D+01  0.451025D+01  0.807396D+01
      5   0.342567D+01  0.986340D+01 -0.935404D+00  0.764215D+01  0.217713D+02
      6  -0.154612D+01  0.107513D+01  0.195621D+01  0.195579D+01 -0.518464D+01
                46            47            48            49            50 
      1   0.134462D+02  0.147449D+01  0.986393D+00  0.230249D+01 -0.174169D+02
      2  -0.124605D+02 -0.491403D+01  0.214175D+01 -0.602359D+01  0.279385D+02
      3  -0.985638D+00  0.343954D+01 -0.312814D+01  0.372109D+01 -0.105216D+02
      4  -0.772398D+01 -0.631840D+01  0.316467D+01  0.407552D+00 -0.607728D+01
      5   0.169798D+01  0.166012D+01  0.267562D+00  0.106895D+01  0.800079D+00
      6   0.478460D+01  0.335999D+01 -0.929263D+01  0.348502D+01  0.459126D+01
                51            52            53            54            55 
      1  -0.687725D+00 -0.100533D+01  0.223515D+00  0.497769D+00  0.106536D+02
      2   0.383350D+01  0.354421D+01  0.441032D+01 -0.867251D+00 -0.136633D+01
      3  -0.314577D+01 -0.253888D+01 -0.463383D+01  0.369483D+00 -0.928731D+01
      4   0.172092D+01  0.409864D+01  0.225976D+01 -0.974929D+01  0.175771D+02
      5  -0.230064D+01  0.935261D+00 -0.393218D+01 -0.352645D+01  0.134845D+01
      6   0.210643D+01 -0.107933D+02 -0.184102D+01 -0.115067D+02  0.754680D+00
                56            57            58            59            60 
      1   0.504518D+01 -0.136580D+00  0.750398D+01 -0.214687D+02 -0.583839D+00
      2   0.337742D+01  0.517577D+00  0.346769D+01  0.423965D+02 -0.241846D-01
      3  -0.842259D+01 -0.380997D+00 -0.109717D+02 -0.209277D+02  0.608023D+00
      4   0.221772D+02  0.833401D+00  0.256027D+02  0.464973D+02  0.120430D+01
      5   0.135661D+01  0.747029D+01  0.147031D+01  0.252078D+01  0.932916D+01
      6   0.771185D+00  0.404709D+01  0.138788D+01  0.172701D+01  0.174556D+02
                61            62            63            64            65 
      1   0.618902D+00 -0.105739D+00 -0.372684D+01  0.112840D+01  0.289574D-01
      2   0.439138D+00 -0.464139D+00  0.287767D+01 -0.401378D+01 -0.459243D-01
      3  -0.105804D+01  0.569877D+00  0.849164D+00  0.288538D+01  0.169669D-01
      4   0.149222D+00 -0.307153D+00  0.110055D+02 -0.356019D+00  0.142120D+01
      5   0.887756D+01  0.111251D+02  0.233202D+00 -0.225018D+01 -0.111033D+00
      6   0.396475D+01  0.139778D+02  0.510432D+00 -0.310325D+00  0.334508D+00
                66            67            68            69            70 
      1  -0.198979D+00 -0.235987D+00 -0.380087D+01 -0.603708D+00  0.119534D+01
      2   0.185307D+01  0.110521D+01  0.592213D+00 -0.109784D+01  0.267390D+01
      3  -0.165409D+01 -0.869221D+00  0.320866D+01  0.170155D+01 -0.386924D+01
      4  -0.372670D+00  0.291547D+01 -0.454133D+00 -0.596297D+00  0.787605D+00
      5   0.685758D+01  0.621602D+00 -0.858412D+00 -0.119551D+01  0.593023D+01
      6   0.246955D+00 -0.255374D+00  0.722359D+00  0.643796D+01 -0.116166D+00
                71            72            73            74            75 
      1   0.782242D+00 -0.165234D+02  0.903590D+00  0.524358D+00  0.396052D+01
      2  -0.867649D+00 -0.160207D+02 -0.336267D+01 -0.187403D+00 -0.647007D+00
      3   0.854073D-01  0.325441D+02  0.245908D+01 -0.336954D+00 -0.331352D+01
      4  -0.419688D+00 -0.760537D+00  0.567856D+00  0.623916D+00 -0.111885D+01
      5   0.318324D-01 -0.718507D+01  0.145403D+01 -0.174502D+00  0.474129D+01
      6   0.453372D+01 -0.183414D+01 -0.728871D+00 -0.775419D+00  0.522104D+00
                76            77            78            79            80 
      1   0.200981D+01 -0.423892D+01 -0.805347D-01  0.524299D+01  0.161821D+01
      2  -0.141812D+01  0.196231D+01 -0.129749D+01 -0.268163D+01 -0.767151D+00
      3  -0.591684D+00  0.227661D+01  0.137803D+01 -0.256136D+01 -0.851057D+00
      4   0.284329D+00 -0.440753D+00  0.244029D+01 -0.207735D+01  0.276453D+01
      5  -0.725110D-01  0.219657D+01  0.172931D+01  0.498977D+01 -0.144921D+01
      6   0.185782D+00 -0.357956D+00  0.485354D+01 -0.194847D+00  0.585241D+01
                81            82            83            84            85 
      1  -0.186902D+02 -0.963058D+00 -0.392987D+01 -0.782618D+00 -0.502938D+01
      2  -0.119633D+02  0.335093D+01  0.294096D+01  0.702354D+00  0.303441D+01
      3   0.306535D+02 -0.238787D+01  0.988911D+00  0.802643D-01  0.199497D+01
      4  -0.591167D-01 -0.145146D+01  0.388807D+01  0.574606D+00  0.528504D+01
      5   0.185224D+02 -0.610266D+00 -0.492346D-01  0.787601D+00 -0.193006D+00
      6  -0.970370D+01  0.724899D+00 -0.312176D+00  0.538778D+00  0.116399D+00
                86            87            88            89            90 
      1  -0.183153D+02 -0.364949D+00 -0.245298D+01 -0.241169D+01 -0.455551D+01
      2   0.310020D+02  0.206269D+01  0.149841D+01  0.395138D+01  0.244818D+01
      3  -0.126866D+02 -0.169774D+01  0.954571D+00 -0.153968D+01  0.210733D+01
      4  -0.173704D+02 -0.907854D+00  0.919600D+00 -0.311310D+01 -0.188402D+01
      5  -0.798348D+00 -0.229382D+01  0.659798D+00 -0.238359D+01  0.123982D+00
      6   0.939354D-01  0.531720D+01  0.296905D+00  0.566822D+01  0.141887D+01
                91            92            93            94            95 
      1  -0.126678D+02 -0.289608D+01  0.438718D+00 -0.132149D+02 -0.673658D+01
      2   0.108072D+02  0.106305D+00 -0.405214D+00  0.733448D+01  0.106873D+02
      3   0.186064D+01  0.278977D+01 -0.335045D-01  0.588045D+01 -0.395076D+01
      4  -0.752482D+00  0.148017D+00 -0.577292D+00  0.728398D+01 -0.160556D+02
      5   0.125336D+01  0.428505D+00 -0.170118D+01  0.122945D+01  0.254692D+00
      6  -0.719549D+00 -0.199200D+00 -0.201840D+01 -0.349165D+00  0.439734D+00
                96            97            98            99           100 
      1   0.454097D+00  0.144896D+01  0.203594D+00 -0.113495D+01 -0.583843D+00
      2  -0.388173D+00 -0.104615D+01 -0.300514D+00  0.326232D+00  0.873239D+00
      3  -0.659241D-01 -0.402811D+00  0.969198D-01  0.808718D+00 -0.289396D+00
      4  -0.651494D+00 -0.386033D+00  0.525461D-01 -0.239533D+01  0.233854D+01
      5  -0.382376D+01  0.222736D+01 -0.228026D+01  0.748779D-01  0.246039D+01
      6   0.165233D+01 -0.131827D+01  0.271853D+01  0.105524D+00  0.262433D+01
               101           102           103           104           105 
      1  -0.110164D+01 -0.805025D+00  0.143821D-01 -0.333250D+01 -0.174288D+01
      2   0.209642D+01  0.427868D+00  0.710187D+00  0.412442D+01  0.237293D+01
      3  -0.994778D+00  0.377157D+00 -0.724569D+00 -0.791916D+00 -0.630047D+00
      4   0.456096D+01  0.285740D+01  0.411518D+01  0.264521D+01  0.255416D+01
      5   0.154539D+01  0.404217D+01  0.745790D+00  0.167318D+01  0.145644D+01
      6   0.310549D+01  0.543146D+01  0.259053D+01  0.331287D+01  0.640942D+01
               106           107           108           109           110 
      1  -0.698431D-01 -0.555176D+01 -0.798077D+01  0.503522D+00 -0.364251D+01
      2  -0.969078D+00  0.478431D+01 -0.216380D+01  0.528037D+01  0.983291D+01
      3   0.103892D+01  0.767447D+00  0.101446D+02 -0.578389D+01 -0.619040D+01
      4   0.539739D+01  0.487697D+01  0.623012D+01  0.121138D+02  0.136855D+02
      5   0.412230D+01  0.317673D+01  0.751158D+01 -0.393064D+01 -0.321831D+01
      6   0.662181D+01  0.923416D+01  0.211221D+02 -0.636906D+01 -0.639220D+01
               111           112           113           114           115 
      1   0.409920D+00 -0.207400D+01 -0.578449D+01  0.161663D+01  0.153895D+01
      2  -0.278950D+01  0.702567D+01  0.130276D+02 -0.415035D+01 -0.316425D+01
      3   0.237958D+01 -0.495167D+01 -0.724316D+01  0.253372D+01  0.162530D+01
      4  -0.543616D+01  0.120876D+02  0.108486D+02 -0.448403D+01 -0.793744D+01
      5   0.434755D+01 -0.158297D+01 -0.287712D+01  0.179012D+01  0.425242D+01
      6   0.672563D+01 -0.521798D+01 -0.671786D+01  0.601554D+01  0.698694D+01
               116           117           118           119           120 
      1   0.372682D+01 -0.314232D+01  0.136705D+02 -0.337037D+01 -0.781663D+01
      2  -0.606021D+01  0.246851D+01 -0.803575D+01  0.172092D+01  0.501472D+01
      3   0.233338D+01  0.673813D+00 -0.563475D+01  0.164945D+01  0.280190D+01
      4  -0.698642D+01  0.642093D+01 -0.521698D+01  0.469627D+01  0.368701D+01
      5   0.350623D+01 -0.383021D+01 -0.922499D+01  0.292551D+01  0.115031D+02
      6   0.869985D+01 -0.761108D+01  0.250810D+01 -0.702307D+00 -0.166599D+01
               121           122           123           124           125 
      1  -0.559738D+01  0.237178D+01  0.326775D+01 -0.142721D+02  0.223998D+01
      2   0.246200D+01 -0.637027D+00 -0.167181D+01  0.104262D+02 -0.190231D+01
      3   0.313538D+01 -0.173475D+01 -0.159594D+01  0.384590D+01 -0.337669D+00
      4   0.729501D+01 -0.532421D+01 -0.643616D+01  0.708525D+01 -0.756429D+01
      5   0.552609D+01 -0.559932D+01 -0.915734D+01  0.174358D+02 -0.747541D+01
      6  -0.267932D+01  0.251848D+01  0.475488D+01 -0.417474D+01  0.344469D+01
               126 
      1   0.793383D+01
      2  -0.103461D+02
      3   0.241227D+01
      4  -0.888162D+01
      5  -0.275008D+02
      6   0.645394D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168312D+01      0.427807D+01      0.142701D+02
   x          0.130989D+01      0.332940D+01      0.111057D+02
   y          0.957810D+00      0.243451D+01      0.812065D+01
   z         -0.446869D+00     -0.113583D+01     -0.378871D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.544983D+02      0.807582D+01      0.898556D+01
   aniso      0.155092D+02      0.229822D+01      0.255711D+01
   xx         0.600136D+02      0.889309D+01      0.989490D+01
   yx         0.298583D+00      0.442454D-01      0.492297D-01
   yy         0.590340D+02      0.874793D+01      0.973338D+01
   zx        -0.192291D+01     -0.284946D+00     -0.317046D+00
   zy         0.621864D+00      0.921507D-01      0.102532D+00
   zz         0.444475D+02      0.658644D+01      0.732840D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.597445D+02      0.885322D+01      0.985054D+01
   aniso      0.169830D+02      0.251663D+01      0.280013D+01
   xx         0.660025D+02      0.978057D+01      0.108823D+02
   yx         0.235799D+00      0.349418D-01      0.388780D-01
   yy         0.645945D+02      0.957192D+01      0.106502D+02
   zx        -0.170736D+01     -0.253005D+00     -0.281506D+00
   zy         0.364624D+00      0.540317D-01      0.601184D-01
   zz         0.486364D+02      0.720717D+01      0.801906D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.15937944          1.40508785          0.96137003
     6         -0.45369107          0.20777921          0.67238291
     6         -1.07434978         -0.24778926         -2.13047687
     8         -2.29603885         -2.41541495         -2.56178069
     8          2.69255891          1.99848330          3.52867515
     7         -0.80916508         -2.12887249          2.11801430
     8         -0.54750332          1.23109768         -3.77022085
     1         -1.87095801          1.56654239          1.32456829
     1          3.59973026          0.04785117          0.37014690
     1          2.30956209          3.05172650         -0.26887256
     1         -2.44644943         -3.23240563         -0.89658140
     1          0.83420529         -3.11326653          2.21789674
     1         -1.32737517         -1.75133778          3.91802093
     1          1.98526579          3.62921337          3.91567461

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168312D+01      0.427807D+01      0.142701D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168312D+01      0.427807D+01      0.142701D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.544983D+02      0.807582D+01      0.898556D+01
   aniso      0.155092D+02      0.229822D+01      0.255711D+01
   xx         0.484574D+02      0.718065D+01      0.798955D+01
   yx         0.629689D+01      0.933103D+00      0.103822D+01
   yy         0.555673D+02      0.823423D+01      0.916182D+01
   zx         0.285343D+01      0.422835D+00      0.470467D+00
   zy        -0.109872D+01     -0.162813D+00     -0.181154D+00
   zz         0.594703D+02      0.881259D+01      0.980532D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.597445D+02      0.885322D+01      0.985054D+01
   aniso      0.169830D+02      0.251663D+01      0.280013D+01
   xx         0.536416D+02      0.794887D+01      0.884431D+01
   yx         0.710707D+01      0.105316D+01      0.117180D+01
   yy         0.604652D+02      0.896001D+01      0.996936D+01
   zx         0.327204D+01      0.484867D+00      0.539487D+00
   zy        -0.124843D+01     -0.184998D+00     -0.205839D+00
   zz         0.651267D+02      0.965078D+01      0.107379D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-34\Freq\RwB97XD\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.251931,-0
 .663665,0.331107\C,0.190209,0.204684,-0.343882\C,-1.219712,-0.345036,-
 0.068508\O,-2.135841,0.604858,0.141712\O,2.566231,-0.22295,0.011296\N,
 0.254758,1.625934,0.01027\O,-1.47577,-1.518722,-0.066506\H,0.319391,0.
 128518,-1.428362\H,1.154507,-0.574017,1.416069\H,1.091659,-1.710334,0.
 069937\H,-1.642859,1.455867,0.09184\H,0.567016,1.739291,0.969467\H,0.9
 22994,2.115293,-0.56973\H,2.832457,-0.617545,-0.825436\\Version=ES64L-
 G16RevA.03\State=1-A\HF=-399.1519195\RMSD=9.948e-09\RMSF=1.550e-05\Zer
 oPoint=0.1130578\Thermal=0.1208887\Dipole=1.3098879,0.9578099,-0.44686
 88\DipoleDeriv=0.8800125,0.0309607,-0.1116621,-0.0126177,0.1863162,-0.
 0460773,-0.1080084,-0.0133331,0.3151096,-0.1219515,0.0427468,0.1143489
 ,0.0206446,0.4448158,0.0560497,0.039676,0.124305,0.1744324,1.2177336,-
 0.2242157,-0.1737402,-0.0149346,1.7100275,0.0790852,-0.2367166,0.08391
 74,0.2689037,-0.9261019,0.4747799,0.0818547,0.1501253,-1.019601,-0.077
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 We're simply so accustomed to the marvels of everyday thought
 that we never wonder about it.
 -- Marvin Minsky in "Why people think computers are smart"
 Job cpu time:       0 days  1 hours 18 minutes 10.2 seconds.
 Elapsed time:       0 days  0 hours  9 minutes 48.7 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:13:25 2021.
